REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1o7o_1_B DATA FIRST_RESID 1082 DATA SEQUENCE KLKLSDWFNP FKRPEVVTMT KWKAPVVWEG TYNRAVLDNY YAKQKITVGL DATA SEQUENCE TVFAVGRYIE HYLEEFLTSA NKHFMVGHPV IFYIMVDDVS RMPLIELGPL DATA SEQUENCE RSFKVFKIKP EKRWQDISMM RMKTIGEHIV AHIQHEVDFL FCMDVDQVFQ DATA SEQUENCE DKFGVETLGE SVAQLQAWWY KADPNDFTYE RRKESAAYIP FGEGDFYYHA DATA SEQUENCE AIFGGTPTQV LNITQECFKG ILKDKKNDIE AQWHDQSHLN KYFLLNKPTK DATA SEQUENCE ILSPEYCWDY HIGLPADIKL VKMSWQTKEY NVVRNNV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1082 K HA 0.000 nan 4.320 nan 0.000 0.191 1082 K C 0.000 176.616 176.600 0.027 0.000 0.988 1082 K CA 0.000 56.356 56.287 0.114 0.000 0.838 1082 K CB 0.000 32.596 32.500 0.160 0.000 1.064 1083 L N 3.330 124.496 121.223 -0.096 0.000 2.499 1083 L HA 0.209 4.804 4.340 0.425 0.000 0.273 1083 L C -0.354 176.485 176.870 -0.052 0.000 1.195 1083 L CA 0.977 55.635 54.840 -0.304 0.000 0.882 1083 L CB 0.662 42.298 42.059 -0.705 0.000 1.133 1083 L HN 0.128 nan 8.230 nan 0.000 0.483 1084 K N 3.611 124.013 120.400 0.003 0.000 2.203 1084 K HA 0.239 4.814 4.320 0.425 0.000 0.251 1084 K C 0.725 177.390 176.600 0.108 0.000 0.944 1084 K CA -0.842 55.480 56.287 0.058 0.000 0.829 1084 K CB 1.573 34.093 32.500 0.034 0.000 1.125 1084 K HN 0.635 nan 8.250 nan 0.000 0.430 1085 L N 3.188 124.457 121.223 0.077 0.000 2.013 1085 L HA -0.215 4.380 4.340 0.425 0.000 0.212 1085 L C 2.000 178.703 176.870 -0.277 0.000 1.073 1085 L CA 2.646 57.449 54.840 -0.062 0.000 0.753 1085 L CB -0.712 41.315 42.059 -0.053 0.000 0.890 1085 L HN 0.880 nan 8.230 nan 0.000 0.432 1086 S N -1.879 113.757 115.700 -0.108 0.000 2.469 1086 S HA -0.165 4.560 4.470 0.425 0.000 0.238 1086 S C 1.608 176.165 174.600 -0.072 0.000 0.998 1086 S CA 1.000 59.144 58.200 -0.093 0.000 0.957 1086 S CB -0.802 62.386 63.200 -0.020 0.000 0.764 1086 S HN 0.531 nan 8.310 nan 0.000 0.514 1087 D N 1.225 121.615 120.400 -0.017 0.000 2.178 1087 D HA -0.055 4.840 4.640 0.425 0.000 0.201 1087 D C 1.618 178.010 176.300 0.153 0.000 0.980 1087 D CA 1.388 55.431 54.000 0.071 0.000 0.842 1087 D CB -0.180 40.683 40.800 0.105 0.000 0.948 1087 D HN 0.898 nan 8.370 nan 0.000 0.472 1088 W N -1.567 119.775 121.300 0.070 0.000 2.413 1088 W HA 0.301 5.208 4.660 0.413 0.000 0.288 1088 W C -0.520 176.133 176.519 0.223 0.000 0.958 1088 W CA -0.525 56.893 57.345 0.122 0.000 1.333 1088 W CB -0.186 29.338 29.460 0.106 0.000 1.002 1088 W HN -0.255 nan 8.180 nan 0.000 0.562 1089 F N 4.292 123.672 119.950 -0.951 0.000 2.426 1089 F HA 0.498 5.276 4.527 0.418 0.000 0.348 1089 F C -0.717 174.835 175.800 -0.414 0.000 1.124 1089 F CA -1.308 56.164 58.000 -0.881 0.000 1.008 1089 F CB 1.057 39.138 39.000 -1.532 0.000 1.139 1089 F HN -0.239 nan 8.300 nan 0.000 0.452 1090 N N 8.234 126.442 118.700 -0.819 0.000 2.623 1090 N HA 0.332 5.327 4.740 0.425 0.000 0.256 1090 N C -2.191 172.792 175.510 -0.878 0.000 1.045 1090 N CA -2.377 50.319 53.050 -0.590 0.000 0.863 1090 N CB 1.855 40.202 38.487 -0.234 0.000 1.182 1090 N HN 0.283 nan 8.380 nan 0.000 0.523 1091 P HA -0.064 nan 4.420 nan 0.000 0.223 1091 P C 0.964 177.862 177.300 -0.670 0.000 1.151 1091 P CA 0.833 63.367 63.100 -0.943 0.000 0.787 1091 P CB -0.010 31.219 31.700 -0.785 0.000 0.788 1092 F N 0.572 120.368 119.950 -0.258 0.000 2.546 1092 F HA -0.015 4.770 4.527 0.430 0.000 0.298 1092 F C 2.190 177.888 175.800 -0.170 0.000 1.120 1092 F CA 0.657 58.551 58.000 -0.177 0.000 1.456 1092 F CB -0.713 38.201 39.000 -0.143 0.000 1.088 1092 F HN -0.181 nan 8.300 nan 0.000 0.572 1093 K N 0.243 120.586 120.400 -0.096 0.000 2.365 1093 K HA 0.039 4.614 4.320 0.425 0.000 0.199 1093 K C 0.469 176.997 176.600 -0.120 0.000 1.045 1093 K CA 0.656 56.884 56.287 -0.099 0.000 0.962 1093 K CB 0.020 32.441 32.500 -0.133 0.000 0.759 1093 K HN 0.102 nan 8.250 nan 0.000 0.469 1094 R N 0.743 121.142 120.500 -0.169 0.000 2.629 1094 R HA 0.158 4.753 4.340 0.425 0.000 0.277 1094 R C -2.081 174.081 176.300 -0.230 0.000 1.637 1094 R CA -1.474 54.501 56.100 -0.209 0.000 1.663 1094 R CB 0.782 30.932 30.300 -0.251 0.000 1.228 1094 R HN -0.026 nan 8.270 nan 0.000 0.632 1095 P HA -0.073 nan 4.420 nan 0.000 0.226 1095 P C 0.321 177.540 177.300 -0.135 0.000 1.153 1095 P CA 0.869 63.899 63.100 -0.117 0.000 0.777 1095 P CB 0.633 32.304 31.700 -0.049 0.000 0.794 1096 E N 0.200 120.294 120.200 -0.175 0.000 2.489 1096 E HA 0.076 4.681 4.350 0.425 0.000 0.193 1096 E C 1.060 177.528 176.600 -0.220 0.000 1.057 1096 E CA 0.118 56.418 56.400 -0.166 0.000 0.866 1096 E CB 0.109 29.720 29.700 -0.149 0.000 0.916 1096 E HN 0.298 nan 8.360 nan 0.000 0.500 1097 V N -3.322 116.388 119.914 -0.341 0.000 3.141 1097 V HA 0.492 4.866 4.120 0.425 0.000 0.312 1097 V C 0.274 176.241 176.094 -0.212 0.000 1.157 1097 V CA -1.288 60.767 62.300 -0.407 0.000 1.041 1097 V CB 1.859 32.970 31.823 -1.186 0.000 1.071 1097 V HN -0.268 nan 8.190 nan 0.000 0.441 1098 V N 2.245 122.180 119.914 0.036 0.000 2.439 1098 V HA 0.285 4.660 4.120 0.425 0.000 0.271 1098 V C 1.482 177.731 176.094 0.258 0.000 1.040 1098 V CA 0.962 63.373 62.300 0.185 0.000 1.002 1098 V CB 0.382 32.424 31.823 0.366 0.000 1.000 1098 V HN 1.213 nan 8.190 nan 0.000 0.477 1099 T N 1.284 115.928 114.554 0.151 0.000 2.985 1099 T HA 0.394 4.998 4.350 0.425 0.000 0.254 1099 T C 0.314 175.146 174.700 0.219 0.000 1.021 1099 T CA -0.152 62.105 62.100 0.262 0.000 0.957 1099 T CB 0.420 69.354 68.868 0.110 0.000 1.047 1099 T HN 0.317 nan 8.240 nan 0.000 0.511 1100 M N 2.846 122.496 119.600 0.083 0.000 2.378 1100 M HA 0.418 5.153 4.480 0.425 0.000 0.289 1100 M C -0.326 175.923 176.300 -0.086 0.000 1.136 1100 M CA -0.502 54.784 55.300 -0.023 0.000 0.917 1100 M CB 2.143 34.728 32.600 -0.025 0.000 1.669 1100 M HN 0.324 nan 8.290 nan 0.000 0.461 1101 T N -1.529 112.850 114.554 -0.293 0.000 2.824 1101 T HA 0.383 4.987 4.350 0.425 0.000 0.277 1101 T C 0.999 175.455 174.700 -0.406 0.000 0.975 1101 T CA -0.567 61.236 62.100 -0.495 0.000 0.966 1101 T CB 1.589 69.578 68.868 -1.465 0.000 1.054 1101 T HN 0.815 nan 8.240 nan 0.000 0.533 1102 K N -0.380 119.843 120.400 -0.295 0.000 2.211 1102 K HA -0.058 4.517 4.320 0.425 0.000 0.203 1102 K C 1.174 177.855 176.600 0.134 0.000 1.050 1102 K CA 1.148 57.450 56.287 0.026 0.000 0.945 1102 K CB -0.187 32.444 32.500 0.217 0.000 0.732 1102 K HN 0.882 nan 8.250 nan 0.000 0.451 1103 W N 1.173 122.544 121.300 0.117 0.000 3.305 1103 W HA 0.368 5.278 4.660 0.418 0.000 0.392 1103 W C -0.577 175.988 176.519 0.077 0.000 1.121 1103 W CA -0.750 56.649 57.345 0.091 0.000 1.909 1103 W CB 0.499 30.015 29.460 0.094 0.000 1.065 1103 W HN -0.159 nan 8.180 nan 0.000 0.714 1104 K N -0.674 119.658 120.400 -0.114 0.000 3.230 1104 K HA -0.221 4.354 4.320 0.425 0.000 0.285 1104 K C 0.133 176.656 176.600 -0.129 0.000 1.196 1104 K CA 1.276 57.511 56.287 -0.085 0.000 0.838 1104 K CB -2.240 30.278 32.500 0.031 0.000 1.262 1104 K HN 0.516 nan 8.250 nan 0.000 0.492 1105 A N 1.492 124.115 122.820 -0.329 0.000 2.304 1105 A HA 0.641 5.216 4.320 0.425 0.000 0.301 1105 A C -2.041 175.379 177.584 -0.273 0.000 1.132 1105 A CA -1.253 50.660 52.037 -0.207 0.000 0.819 1105 A CB 0.732 19.678 19.000 -0.090 0.000 1.094 1105 A HN -0.017 nan 8.150 nan 0.000 0.492 1106 P HA 0.346 nan 4.420 nan 0.000 0.281 1106 P C -0.894 176.198 177.300 -0.346 0.000 1.249 1106 P CA -0.245 62.526 63.100 -0.548 0.000 0.810 1106 P CB 1.412 32.353 31.700 -1.266 0.000 1.008 1107 V N 3.439 123.258 119.914 -0.158 0.000 2.313 1107 V HA 0.106 4.481 4.120 0.425 0.000 0.278 1107 V C 0.445 176.632 176.094 0.155 0.000 1.017 1107 V CA -0.781 61.504 62.300 -0.026 0.000 0.823 1107 V CB 1.530 33.434 31.823 0.136 0.000 1.010 1107 V HN 0.260 nan 8.190 nan 0.000 0.443 1108 V N 5.208 125.121 119.914 -0.002 0.000 2.415 1108 V HA 0.199 4.574 4.120 0.425 0.000 0.267 1108 V C -0.334 175.883 176.094 0.205 0.000 1.042 1108 V CA -0.106 62.326 62.300 0.220 0.000 1.000 1108 V CB -0.222 31.625 31.823 0.040 0.000 1.015 1108 V HN 0.821 nan 8.190 nan 0.000 0.478 1109 W N 2.126 123.644 121.300 0.363 0.000 2.706 1109 W HA 0.562 5.546 4.660 0.540 0.000 0.346 1109 W C 0.296 176.981 176.519 0.276 0.000 1.071 1109 W CA -0.989 56.508 57.345 0.253 0.000 1.206 1109 W CB 0.967 30.493 29.460 0.110 0.000 1.413 1109 W HN 0.446 nan 8.180 nan 0.000 0.542 1110 E N 0.745 121.200 120.200 0.425 0.000 2.465 1110 E HA 0.320 4.925 4.350 0.425 0.000 0.260 1110 E C 1.076 177.709 176.600 0.055 0.000 0.980 1110 E CA 2.016 58.550 56.400 0.224 0.000 0.927 1110 E CB 0.314 30.076 29.700 0.104 0.000 0.934 1110 E HN 0.662 nan 8.360 nan 0.000 0.459 1111 G N 2.879 111.563 108.800 -0.193 0.000 2.254 1111 G HA2 -0.340 3.875 3.960 0.425 0.000 0.225 1111 G HA3 -0.340 3.875 3.960 0.425 0.000 0.225 1111 G C 1.039 175.824 174.900 -0.192 0.000 1.003 1111 G CA 0.834 45.819 45.100 -0.191 0.000 0.622 1111 G HN 0.851 nan 8.290 nan 0.000 0.507 1112 T N -1.363 113.135 114.554 -0.094 0.000 3.067 1112 T HA 0.429 5.034 4.350 0.425 0.000 0.257 1112 T C 0.973 175.681 174.700 0.012 0.000 1.105 1112 T CA 1.167 63.185 62.100 -0.136 0.000 1.104 1112 T CB -0.134 68.670 68.868 -0.106 0.000 0.925 1112 T HN 1.321 nan 8.240 nan 0.000 0.498 1113 Y N 0.256 120.701 120.300 0.241 0.000 2.420 1113 Y HA 0.731 5.536 4.550 0.426 0.000 0.334 1113 Y C -0.316 175.754 175.900 0.282 0.000 1.094 1113 Y CA -2.431 55.913 58.100 0.407 0.000 1.126 1113 Y CB 0.786 39.575 38.460 0.547 0.000 1.217 1113 Y HN -0.150 nan 8.280 nan 0.000 0.462 1114 N N 3.371 122.384 118.700 0.520 0.000 2.816 1114 N HA 0.163 5.158 4.740 0.425 0.000 0.236 1114 N C 0.644 176.401 175.510 0.412 0.000 1.076 1114 N CA -0.274 52.982 53.050 0.343 0.000 0.902 1114 N CB 0.503 39.147 38.487 0.261 0.000 1.149 1114 N HN 0.987 nan 8.380 nan 0.000 0.506 1115 R N 2.308 123.083 120.500 0.460 0.000 2.120 1115 R HA -0.076 4.519 4.340 0.425 0.000 0.234 1115 R C 1.621 178.061 176.300 0.233 0.000 1.123 1115 R CA 1.637 57.940 56.100 0.337 0.000 0.975 1115 R CB 0.098 30.604 30.300 0.343 0.000 0.866 1115 R HN 0.532 nan 8.270 nan 0.000 0.446 1116 A N 0.191 123.133 122.820 0.204 0.000 1.883 1116 A HA -0.129 4.446 4.320 0.425 0.000 0.217 1116 A C 2.226 179.905 177.584 0.157 0.000 1.186 1116 A CA 1.652 53.783 52.037 0.157 0.000 0.624 1116 A CB -0.609 18.465 19.000 0.124 0.000 0.822 1116 A HN 0.219 nan 8.150 nan 0.000 0.444 1117 V N 0.057 120.072 119.914 0.168 0.000 2.343 1117 V HA -0.255 4.120 4.120 0.425 0.000 0.247 1117 V C 2.568 178.752 176.094 0.150 0.000 1.051 1117 V CA 2.006 64.398 62.300 0.155 0.000 1.036 1117 V CB -0.693 31.232 31.823 0.171 0.000 0.654 1117 V HN 0.567 nan 8.190 nan 0.000 0.451 1118 L N -0.604 120.712 121.223 0.154 0.000 2.072 1118 L HA -0.134 4.461 4.340 0.425 0.000 0.205 1118 L C 2.387 179.405 176.870 0.248 0.000 1.079 1118 L CA 1.376 56.282 54.840 0.110 0.000 0.752 1118 L CB -0.717 41.379 42.059 0.062 0.000 0.906 1118 L HN 0.315 nan 8.230 nan 0.000 0.436 1119 D N 0.065 120.625 120.400 0.267 0.000 2.123 1119 D HA -0.209 4.686 4.640 0.425 0.000 0.196 1119 D C 1.879 178.354 176.300 0.291 0.000 0.992 1119 D CA 1.422 55.637 54.000 0.358 0.000 0.833 1119 D CB -0.177 40.781 40.800 0.263 0.000 0.954 1119 D HN 0.279 nan 8.370 nan 0.000 0.455 1120 N N -0.435 118.381 118.700 0.194 0.000 2.084 1120 N HA -0.222 4.772 4.740 0.425 0.000 0.190 1120 N C 1.871 177.463 175.510 0.136 0.000 1.030 1120 N CA 0.999 54.134 53.050 0.142 0.000 0.849 1120 N CB -0.388 38.169 38.487 0.118 0.000 1.012 1120 N HN 0.131 nan 8.380 nan 0.000 0.423 1121 Y N 0.113 120.408 120.300 -0.008 0.000 2.070 1121 Y HA -0.267 4.537 4.550 0.423 0.000 0.280 1121 Y C 1.709 177.547 175.900 -0.103 0.000 1.148 1121 Y CA 2.006 60.031 58.100 -0.124 0.000 1.125 1121 Y CB -0.842 37.429 38.460 -0.316 0.000 0.975 1121 Y HN 0.232 nan 8.280 nan 0.000 0.492 1122 Y N -0.633 119.698 120.300 0.051 0.000 2.293 1122 Y HA -0.125 4.681 4.550 0.426 0.000 0.291 1122 Y C 2.600 178.529 175.900 0.049 0.000 1.137 1122 Y CA 0.601 58.680 58.100 -0.035 0.000 1.202 1122 Y CB -0.544 37.886 38.460 -0.051 0.000 0.990 1122 Y HN 0.256 nan 8.280 nan 0.000 0.537 1123 A N 0.559 123.555 122.820 0.293 0.000 1.902 1123 A HA -0.207 4.368 4.320 0.425 0.000 0.217 1123 A C 2.071 179.695 177.584 0.066 0.000 1.181 1123 A CA 1.662 53.810 52.037 0.185 0.000 0.623 1123 A CB -0.431 18.633 19.000 0.105 0.000 0.818 1123 A HN 0.381 nan 8.150 nan 0.000 0.443 1124 K N -0.434 119.968 120.400 0.004 0.000 2.211 1124 K HA -0.114 4.461 4.320 0.425 0.000 0.203 1124 K C 1.905 178.465 176.600 -0.066 0.000 1.050 1124 K CA 1.364 57.626 56.287 -0.042 0.000 0.945 1124 K CB -0.105 32.352 32.500 -0.072 0.000 0.732 1124 K HN 0.618 nan 8.250 nan 0.000 0.451 1125 Q N 0.550 120.292 119.800 -0.096 0.000 2.425 1125 Q HA 0.048 4.643 4.340 0.425 0.000 0.204 1125 Q C -0.530 175.478 176.000 0.013 0.000 0.933 1125 Q CA 0.112 55.871 55.803 -0.072 0.000 0.939 1125 Q CB 0.275 28.942 28.738 -0.117 0.000 1.044 1125 Q HN 0.119 nan 8.270 nan 0.000 0.513 1126 K N 1.479 121.908 120.400 0.049 0.000 3.419 1126 K HA -0.178 4.397 4.320 0.425 0.000 0.272 1126 K C -0.119 176.527 176.600 0.077 0.000 0.973 1126 K CA 0.257 56.583 56.287 0.065 0.000 0.749 1126 K CB -2.049 30.470 32.500 0.033 0.000 1.403 1126 K HN 0.441 nan 8.250 nan 0.000 0.456 1127 I N -2.726 117.916 120.570 0.119 0.000 2.834 1127 I HA 0.395 4.820 4.170 0.425 0.000 0.305 1127 I C 0.217 176.382 176.117 0.079 0.000 1.008 1127 I CA -0.297 61.060 61.300 0.096 0.000 1.273 1127 I CB 1.555 39.626 38.000 0.119 0.000 1.432 1127 I HN -0.035 nan 8.210 nan 0.000 0.557 1128 T N 3.748 118.338 114.554 0.060 0.000 2.861 1128 T HA 0.562 5.167 4.350 0.425 0.000 0.287 1128 T C -0.563 174.183 174.700 0.076 0.000 1.003 1128 T CA -0.442 61.691 62.100 0.055 0.000 0.977 1128 T CB 1.940 70.837 68.868 0.049 0.000 0.996 1128 T HN 0.453 nan 8.240 nan 0.000 0.448 1129 V N 2.125 122.083 119.914 0.074 0.000 2.555 1129 V HA 0.816 5.191 4.120 0.425 0.000 0.302 1129 V C 0.684 176.918 176.094 0.233 0.000 1.038 1129 V CA -0.700 61.692 62.300 0.154 0.000 0.887 1129 V CB 1.864 33.727 31.823 0.066 0.000 0.991 1129 V HN 1.031 nan 8.190 nan 0.000 0.434 1130 G N 2.754 111.749 108.800 0.325 0.000 2.461 1130 G HA2 0.702 4.916 3.960 0.425 0.000 0.329 1130 G HA3 0.702 4.916 3.960 0.425 0.000 0.329 1130 G C -1.585 173.585 174.900 0.450 0.000 1.170 1130 G CA -0.527 44.802 45.100 0.380 0.000 0.935 1130 G HN 0.610 nan 8.290 nan 0.000 0.492 1131 L N 1.042 122.497 121.223 0.387 0.000 2.528 1131 L HA 0.568 5.163 4.340 0.425 0.000 0.267 1131 L C 0.196 177.270 176.870 0.339 0.000 0.961 1131 L CA -0.470 54.544 54.840 0.290 0.000 0.866 1131 L CB 1.802 43.895 42.059 0.057 0.000 1.248 1131 L HN 0.761 nan 8.230 nan 0.000 0.404 1132 T N 1.771 116.472 114.554 0.244 0.000 2.867 1132 T HA 0.802 5.407 4.350 0.425 0.000 0.282 1132 T C -0.642 174.092 174.700 0.057 0.000 1.000 1132 T CA -0.748 61.449 62.100 0.162 0.000 1.042 1132 T CB 1.768 70.681 68.868 0.075 0.000 0.973 1132 T HN 0.726 nan 8.240 nan 0.000 0.465 1133 V N 3.316 123.205 119.914 -0.041 0.000 2.817 1133 V HA 0.643 5.017 4.120 0.425 0.000 0.303 1133 V C -1.998 174.012 176.094 -0.140 0.000 1.151 1133 V CA -1.061 61.164 62.300 -0.124 0.000 0.929 1133 V CB 1.595 33.183 31.823 -0.392 0.000 1.030 1133 V HN 0.908 nan 8.190 nan 0.000 0.427 1134 F N 4.593 124.440 119.950 -0.172 0.000 2.450 1134 F HA 0.883 5.662 4.527 0.420 0.000 0.332 1134 F C 0.545 176.283 175.800 -0.104 0.000 1.093 1134 F CA -0.230 57.703 58.000 -0.112 0.000 1.003 1134 F CB 2.232 41.167 39.000 -0.108 0.000 1.151 1134 F HN 0.694 nan 8.300 nan 0.000 0.474 1135 A N 2.852 125.738 122.820 0.109 0.000 2.569 1135 A HA 0.708 5.283 4.320 0.425 0.000 0.282 1135 A C -1.755 175.891 177.584 0.103 0.000 1.165 1135 A CA -0.537 51.568 52.037 0.113 0.000 0.747 1135 A CB 0.639 19.698 19.000 0.098 0.000 1.215 1135 A HN 0.497 nan 8.150 nan 0.000 0.431 1136 V N 2.552 122.509 119.914 0.072 0.000 2.487 1136 V HA 0.810 5.185 4.120 0.425 0.000 0.298 1136 V C 0.995 177.147 176.094 0.097 0.000 1.028 1136 V CA 0.754 63.091 62.300 0.062 0.000 0.860 1136 V CB 0.776 32.612 31.823 0.023 0.000 0.991 1136 V HN 2.220 nan 8.190 nan 0.000 0.427 1137 G N 5.380 114.243 108.800 0.106 0.000 2.512 1137 G HA2 -0.217 3.998 3.960 0.425 0.000 0.254 1137 G HA3 -0.217 3.998 3.960 0.425 0.000 0.254 1137 G C 0.694 175.683 174.900 0.147 0.000 1.199 1137 G CA 0.238 45.411 45.100 0.122 0.000 0.941 1137 G HN 0.566 nan 8.290 nan 0.000 0.569 1138 R N -0.399 120.184 120.500 0.138 0.000 2.200 1138 R HA -0.033 4.562 4.340 0.425 0.000 0.234 1138 R C 2.296 178.615 176.300 0.031 0.000 1.127 1138 R CA 1.997 58.129 56.100 0.053 0.000 0.989 1138 R CB -0.910 29.336 30.300 -0.089 0.000 0.869 1138 R HN 0.688 nan 8.270 nan 0.000 0.459 1139 Y N 0.490 120.774 120.300 -0.027 0.000 2.315 1139 Y HA -0.168 4.634 4.550 0.420 0.000 0.288 1139 Y C 2.276 178.210 175.900 0.057 0.000 1.154 1139 Y CA 0.740 58.872 58.100 0.053 0.000 1.229 1139 Y CB -0.286 38.274 38.460 0.166 0.000 0.980 1139 Y HN -0.022 nan 8.280 nan 0.000 0.540 1140 I N -0.173 120.510 120.570 0.189 0.000 2.090 1140 I HA -0.280 4.145 4.170 0.425 0.000 0.236 1140 I C 2.058 178.214 176.117 0.064 0.000 1.064 1140 I CA 1.472 62.841 61.300 0.116 0.000 1.324 1140 I CB -0.348 37.703 38.000 0.085 0.000 1.044 1140 I HN 0.111 nan 8.210 nan 0.000 0.399 1141 E N 0.017 120.244 120.200 0.046 0.000 2.110 1141 E HA -0.198 4.407 4.350 0.425 0.000 0.193 1141 E C 2.149 178.706 176.600 -0.072 0.000 0.988 1141 E CA 1.169 57.571 56.400 0.004 0.000 0.804 1141 E CB -0.305 29.407 29.700 0.021 0.000 0.745 1141 E HN 0.516 nan 8.360 nan 0.000 0.458 1142 H N -1.937 116.945 119.070 -0.314 0.000 2.363 1142 H HA -0.025 4.785 4.556 0.423 0.000 0.301 1142 H C 1.040 176.028 175.328 -0.567 0.000 1.074 1142 H CA 1.474 57.148 56.048 -0.623 0.000 1.354 1142 H CB 0.279 29.300 29.762 -1.236 0.000 1.397 1142 H HN 0.321 nan 8.280 nan 0.000 0.516 1143 Y N -1.690 118.691 120.300 0.134 0.000 2.512 1143 Y HA -0.004 4.807 4.550 0.435 0.000 0.268 1143 Y C 2.082 178.053 175.900 0.118 0.000 1.102 1143 Y CA -0.431 57.737 58.100 0.113 0.000 1.261 1143 Y CB 0.216 38.739 38.460 0.105 0.000 1.250 1143 Y HN -0.049 nan 8.280 nan 0.000 0.506 1144 L N 1.375 122.729 121.223 0.220 0.000 2.013 1144 L HA -0.216 4.379 4.340 0.425 0.000 0.212 1144 L C 2.495 179.442 176.870 0.128 0.000 1.073 1144 L CA 2.026 56.955 54.840 0.149 0.000 0.753 1144 L CB -0.584 41.518 42.059 0.072 0.000 0.890 1144 L HN 0.249 nan 8.230 nan 0.000 0.432 1145 E N -0.020 120.225 120.200 0.075 0.000 2.051 1145 E HA -0.260 4.345 4.350 0.425 0.000 0.192 1145 E C 2.007 178.638 176.600 0.052 0.000 0.991 1145 E CA 1.854 58.272 56.400 0.031 0.000 0.799 1145 E CB -0.140 29.565 29.700 0.009 0.000 0.748 1145 E HN 0.675 nan 8.360 nan 0.000 0.449 1146 E N -0.544 119.719 120.200 0.104 0.000 2.110 1146 E HA -0.169 4.436 4.350 0.425 0.000 0.193 1146 E C 2.012 178.689 176.600 0.128 0.000 0.988 1146 E CA 1.045 57.513 56.400 0.114 0.000 0.804 1146 E CB -0.320 29.474 29.700 0.158 0.000 0.745 1146 E HN 0.243 nan 8.360 nan 0.000 0.458 1147 F N 1.446 121.424 119.950 0.046 0.000 2.051 1147 F HA -0.194 4.579 4.527 0.411 0.000 0.296 1147 F C 1.977 177.740 175.800 -0.062 0.000 1.122 1147 F CA 1.408 59.425 58.000 0.029 0.000 1.201 1147 F CB -0.207 38.795 39.000 0.003 0.000 0.978 1147 F HN -0.100 nan 8.300 nan 0.000 0.472 1148 L N -0.523 120.668 121.223 -0.055 0.000 2.046 1148 L HA -0.238 4.357 4.340 0.425 0.000 0.208 1148 L C 2.355 179.017 176.870 -0.346 0.000 1.077 1148 L CA 1.809 56.438 54.840 -0.351 0.000 0.747 1148 L CB -1.247 40.650 42.059 -0.271 0.000 0.896 1148 L HN 0.173 nan 8.230 nan 0.000 0.432 1149 T N -0.680 113.769 114.554 -0.174 0.000 2.746 1149 T HA -0.173 4.432 4.350 0.425 0.000 0.267 1149 T C 2.131 176.746 174.700 -0.142 0.000 1.039 1149 T CA 1.706 63.732 62.100 -0.125 0.000 1.142 1149 T CB -0.195 68.640 68.868 -0.054 0.000 0.866 1149 T HN 0.567 nan 8.240 nan 0.000 0.444 1150 S N 1.684 117.314 115.700 -0.116 0.000 2.387 1150 S HA 0.118 4.843 4.470 0.425 0.000 0.226 1150 S C 2.432 176.895 174.600 -0.229 0.000 1.026 1150 S CA 0.784 58.970 58.200 -0.023 0.000 0.972 1150 S CB -0.532 62.775 63.200 0.178 0.000 0.814 1150 S HN 0.472 nan 8.310 nan 0.000 0.477 1151 A N 2.730 125.217 122.820 -0.556 0.000 1.902 1151 A HA -0.107 4.468 4.320 0.425 0.000 0.217 1151 A C 2.102 179.448 177.584 -0.398 0.000 1.181 1151 A CA 1.813 53.230 52.037 -1.034 0.000 0.623 1151 A CB -1.356 16.882 19.000 -1.269 0.000 0.818 1151 A HN 0.640 nan 8.150 nan 0.000 0.443 1152 N N -0.156 118.409 118.700 -0.225 0.000 2.149 1152 N HA -0.208 4.787 4.740 0.425 0.000 0.188 1152 N C 1.688 177.160 175.510 -0.064 0.000 1.019 1152 N CA 2.126 55.205 53.050 0.048 0.000 0.857 1152 N CB -0.244 38.252 38.487 0.015 0.000 0.997 1152 N HN 0.574 nan 8.380 nan 0.000 0.426 1153 K N -1.549 118.720 120.400 -0.218 0.000 2.116 1153 K HA -0.062 4.513 4.320 0.425 0.000 0.203 1153 K C 0.942 177.285 176.600 -0.428 0.000 1.052 1153 K CA 1.014 57.083 56.287 -0.364 0.000 0.952 1153 K CB 0.038 32.206 32.500 -0.553 0.000 0.729 1153 K HN 0.403 nan 8.250 nan 0.000 0.446 1154 H N -1.871 117.143 119.070 -0.095 0.000 3.058 1154 H HA 0.058 4.876 4.556 0.437 0.000 0.258 1154 H C -0.507 174.796 175.328 -0.043 0.000 1.015 1154 H CA -0.309 55.716 56.048 -0.038 0.000 1.210 1154 H CB 0.203 30.004 29.762 0.066 0.000 1.481 1154 H HN 0.035 nan 8.280 nan 0.000 0.492 1155 F N 3.672 123.432 119.950 -0.317 0.000 2.438 1155 F HA 0.177 4.944 4.527 0.400 0.000 0.360 1155 F C 0.701 176.470 175.800 -0.053 0.000 1.118 1155 F CA -0.640 57.192 58.000 -0.280 0.000 1.164 1155 F CB 0.308 38.992 39.000 -0.527 0.000 1.131 1155 F HN -0.013 nan 8.300 nan 0.000 0.527 1156 M N 5.028 124.374 119.600 -0.424 0.000 2.302 1156 M HA -0.192 4.543 4.480 0.425 0.000 0.200 1156 M C -0.457 175.819 176.300 -0.041 0.000 0.366 1156 M CA 0.312 55.418 55.300 -0.324 0.000 0.440 1156 M CB -2.874 29.360 32.600 -0.609 0.000 1.475 1156 M HN 0.161 nan 8.290 nan 0.000 0.905 1157 V N 0.419 120.339 119.914 0.010 0.000 2.617 1157 V HA 0.330 4.705 4.120 0.425 0.000 0.304 1157 V C 1.719 177.816 176.094 0.004 0.000 1.040 1157 V CA 1.722 64.031 62.300 0.016 0.000 1.149 1157 V CB 0.821 32.661 31.823 0.028 0.000 0.914 1157 V HN 1.005 nan 8.190 nan 0.000 0.487 1158 G N 3.395 112.146 108.800 -0.080 0.000 2.176 1158 G HA2 -0.162 4.052 3.960 0.425 0.000 0.232 1158 G HA3 -0.162 4.052 3.960 0.425 0.000 0.232 1158 G C 0.033 174.645 174.900 -0.480 0.000 0.986 1158 G CA 0.007 44.961 45.100 -0.245 0.000 0.643 1158 G HN 0.778 nan 8.290 nan 0.000 0.522 1159 H N 0.041 119.080 119.070 -0.053 0.000 2.768 1159 H HA 0.410 5.221 4.556 0.425 0.000 0.371 1159 H C -2.755 172.529 175.328 -0.073 0.000 1.151 1159 H CA -1.807 54.208 56.048 -0.055 0.000 1.165 1159 H CB 2.121 31.837 29.762 -0.076 0.000 1.722 1159 H HN 0.007 nan 8.280 nan 0.000 0.543 1160 P HA 0.030 nan 4.420 nan 0.000 0.267 1160 P C -0.599 176.679 177.300 -0.036 0.000 1.205 1160 P CA 0.090 63.184 63.100 -0.010 0.000 0.765 1160 P CB 0.655 32.356 31.700 0.002 0.000 0.828 1161 V N 5.405 125.245 119.914 -0.123 0.000 2.789 1161 V HA 0.455 4.830 4.120 0.425 0.000 0.311 1161 V C -0.034 175.840 176.094 -0.368 0.000 1.073 1161 V CA -0.541 61.641 62.300 -0.196 0.000 0.921 1161 V CB 2.179 33.860 31.823 -0.237 0.000 1.009 1161 V HN 0.352 nan 8.190 nan 0.000 0.426 1162 I N 4.048 124.407 120.570 -0.352 0.000 2.418 1162 I HA 0.461 4.886 4.170 0.425 0.000 0.287 1162 I C -0.999 174.782 176.117 -0.561 0.000 1.008 1162 I CA -0.207 60.809 61.300 -0.474 0.000 1.104 1162 I CB 1.571 39.305 38.000 -0.444 0.000 1.264 1162 I HN 0.433 nan 8.210 nan 0.000 0.438 1163 F N 5.442 125.259 119.950 -0.221 0.000 2.411 1163 F HA 0.368 5.147 4.527 0.420 0.000 0.350 1163 F C -0.366 175.336 175.800 -0.164 0.000 1.114 1163 F CA -0.674 57.238 58.000 -0.147 0.000 1.135 1163 F CB 0.741 39.724 39.000 -0.028 0.000 1.120 1163 F HN 0.322 nan 8.300 nan 0.000 0.495 1164 Y N 4.331 124.819 120.300 0.312 0.000 2.417 1164 Y HA 0.443 5.246 4.550 0.422 0.000 0.336 1164 Y C -0.416 175.541 175.900 0.095 0.000 0.961 1164 Y CA -0.945 57.296 58.100 0.236 0.000 1.215 1164 Y CB 0.596 39.158 38.460 0.169 0.000 1.120 1164 Y HN 0.347 nan 8.280 nan 0.000 0.499 1165 I N 4.411 125.123 120.570 0.238 0.000 2.331 1165 I HA 0.293 4.718 4.170 0.425 0.000 0.292 1165 I C -0.425 175.688 176.117 -0.006 0.000 0.998 1165 I CA -0.493 60.838 61.300 0.051 0.000 1.267 1165 I CB 0.916 38.933 38.000 0.029 0.000 1.386 1165 I HN 0.475 nan 8.210 nan 0.000 0.476 1166 M N 7.907 127.361 119.600 -0.244 0.000 2.072 1166 M HA 0.558 5.293 4.480 0.425 0.000 0.331 1166 M C -0.631 175.590 176.300 -0.132 0.000 1.004 1166 M CA -0.509 54.602 55.300 -0.314 0.000 0.952 1166 M CB 1.466 33.452 32.600 -1.023 0.000 1.511 1166 M HN 0.401 nan 8.290 nan 0.000 0.422 1167 V N 0.152 120.061 119.914 -0.009 0.000 3.078 1167 V HA 0.695 5.070 4.120 0.425 0.000 0.311 1167 V C 0.140 176.270 176.094 0.061 0.000 1.138 1167 V CA -0.771 61.552 62.300 0.037 0.000 1.007 1167 V CB 2.155 34.000 31.823 0.036 0.000 1.045 1167 V HN 0.838 nan 8.190 nan 0.000 0.432 1168 D N -0.221 120.219 120.400 0.066 0.000 2.333 1168 D HA 0.038 4.933 4.640 0.425 0.000 0.208 1168 D C 0.032 176.364 176.300 0.054 0.000 0.984 1168 D CA 0.559 54.597 54.000 0.064 0.000 0.873 1168 D CB 0.540 41.377 40.800 0.062 0.000 0.935 1168 D HN 0.660 nan 8.370 nan 0.000 0.521 1169 D N 0.526 120.956 120.400 0.051 0.000 2.402 1169 D HA 0.111 5.006 4.640 0.425 0.000 0.252 1169 D C 1.079 177.402 176.300 0.039 0.000 1.294 1169 D CA -0.575 53.450 54.000 0.043 0.000 0.948 1169 D CB 2.026 42.850 40.800 0.040 0.000 1.202 1169 D HN -0.264 nan 8.370 nan 0.000 0.561 1170 V N 2.669 122.605 119.914 0.037 0.000 2.594 1170 V HA -0.200 4.175 4.120 0.425 0.000 0.253 1170 V C 2.412 178.524 176.094 0.030 0.000 1.069 1170 V CA 2.097 64.417 62.300 0.034 0.000 1.082 1170 V CB -0.615 31.225 31.823 0.029 0.000 0.680 1170 V HN 0.663 nan 8.190 nan 0.000 0.469 1171 S N 0.351 116.067 115.700 0.027 0.000 2.507 1171 S HA -0.115 4.610 4.470 0.425 0.000 0.235 1171 S C 1.778 176.391 174.600 0.022 0.000 0.988 1171 S CA 0.851 59.065 58.200 0.023 0.000 0.944 1171 S CB -0.362 62.851 63.200 0.021 0.000 0.762 1171 S HN 0.655 nan 8.310 nan 0.000 0.526 1172 R N -0.107 120.408 120.500 0.025 0.000 2.362 1172 R HA 0.355 4.950 4.340 0.425 0.000 0.227 1172 R C 0.189 176.500 176.300 0.019 0.000 0.905 1172 R CA -0.187 55.927 56.100 0.023 0.000 1.067 1172 R CB -0.020 30.298 30.300 0.030 0.000 1.078 1172 R HN 0.471 nan 8.270 nan 0.000 0.516 1173 M N 3.513 123.124 119.600 0.019 0.000 2.307 1173 M HA 0.123 4.858 4.480 0.425 0.000 0.346 1173 M C -2.235 174.060 176.300 -0.008 0.000 1.552 1173 M CA -1.577 53.726 55.300 0.006 0.000 1.116 1173 M CB 0.533 33.146 32.600 0.021 0.000 1.889 1173 M HN -0.228 nan 8.290 nan 0.000 0.460 1174 P HA 0.120 nan 4.420 nan 0.000 0.280 1174 P C -1.220 176.037 177.300 -0.071 0.000 1.300 1174 P CA 0.088 63.167 63.100 -0.036 0.000 0.785 1174 P CB 0.209 31.889 31.700 -0.033 0.000 0.874 1175 L N 5.806 127.010 121.223 -0.030 0.000 2.389 1175 L HA 0.205 4.800 4.340 0.425 0.000 0.265 1175 L C 1.234 178.097 176.870 -0.012 0.000 1.167 1175 L CA -0.817 54.015 54.840 -0.013 0.000 1.045 1175 L CB -0.177 41.928 42.059 0.077 0.000 1.351 1175 L HN 0.331 nan 8.230 nan 0.000 0.419 1176 I N -0.951 119.580 120.570 -0.065 0.000 3.021 1176 I HA 0.273 4.698 4.170 0.425 0.000 0.303 1176 I C 0.171 176.294 176.117 0.010 0.000 1.044 1176 I CA -0.401 60.878 61.300 -0.034 0.000 1.266 1176 I CB 0.794 38.756 38.000 -0.063 0.000 1.447 1176 I HN 0.506 nan 8.210 nan 0.000 0.593 1177 E N 2.882 123.093 120.200 0.018 0.000 2.289 1177 E HA 0.425 5.030 4.350 0.425 0.000 0.278 1177 E C -1.171 175.457 176.600 0.047 0.000 1.032 1177 E CA -0.549 55.876 56.400 0.042 0.000 0.854 1177 E CB 0.931 30.646 29.700 0.025 0.000 1.046 1177 E HN 0.579 nan 8.360 nan 0.000 0.409 1178 L N 3.170 124.445 121.223 0.086 0.000 2.344 1178 L HA 0.528 5.123 4.340 0.425 0.000 0.272 1178 L C 0.869 177.774 176.870 0.058 0.000 1.035 1178 L CA -0.788 54.112 54.840 0.100 0.000 0.807 1178 L CB 1.573 43.739 42.059 0.177 0.000 1.237 1178 L HN 0.664 nan 8.230 nan 0.000 0.442 1179 G N 0.823 109.650 108.800 0.044 0.000 2.532 1179 G HA2 0.506 4.721 3.960 0.425 0.000 0.291 1179 G HA3 0.506 4.721 3.960 0.425 0.000 0.291 1179 G C -2.662 172.240 174.900 0.003 0.000 1.349 1179 G CA -1.297 43.812 45.100 0.014 0.000 1.038 1179 G HN 0.343 nan 8.290 nan 0.000 0.518 1180 P HA 0.160 nan 4.420 nan 0.000 0.264 1180 P C 0.537 177.817 177.300 -0.032 0.000 1.183 1180 P CA 0.300 63.387 63.100 -0.021 0.000 0.763 1180 P CB 0.386 32.072 31.700 -0.023 0.000 0.807 1181 L N -1.204 119.995 121.223 -0.040 0.000 4.696 1181 L HA -0.276 4.318 4.340 0.425 0.000 0.425 1181 L C 0.226 177.042 176.870 -0.089 0.000 1.115 1181 L CA 0.748 55.555 54.840 -0.056 0.000 0.996 1181 L CB -1.147 40.880 42.059 -0.054 0.000 2.077 1181 L HN 0.494 nan 8.230 nan 0.000 0.792 1182 R N 0.217 120.667 120.500 -0.084 0.000 2.637 1182 R HA 0.794 5.389 4.340 0.425 0.000 0.291 1182 R C -0.035 176.214 176.300 -0.085 0.000 0.963 1182 R CA 0.331 56.339 56.100 -0.154 0.000 0.901 1182 R CB 2.087 32.351 30.300 -0.060 0.000 1.160 1182 R HN 0.250 nan 8.270 nan 0.000 0.457 1183 S N 1.201 116.819 115.700 -0.136 0.000 2.643 1183 S HA 0.831 5.556 4.470 0.425 0.000 0.270 1183 S C -1.209 173.425 174.600 0.057 0.000 1.166 1183 S CA -0.920 57.267 58.200 -0.023 0.000 0.815 1183 S CB 1.309 64.450 63.200 -0.099 0.000 1.139 1183 S HN 0.568 nan 8.310 nan 0.000 0.472 1184 F N -1.326 118.576 119.950 -0.080 0.000 2.877 1184 F HA 0.880 5.662 4.527 0.426 0.000 0.319 1184 F C -2.080 173.681 175.800 -0.066 0.000 1.174 1184 F CA -1.028 56.937 58.000 -0.058 0.000 0.903 1184 F CB 1.039 40.096 39.000 0.095 0.000 1.357 1184 F HN 0.990 nan 8.300 nan 0.000 0.472 1185 K N 0.961 121.419 120.400 0.096 0.000 2.557 1185 K HA 0.751 5.325 4.320 0.425 0.000 0.261 1185 K C -2.427 174.200 176.600 0.046 0.000 0.932 1185 K CA -1.001 55.210 56.287 -0.127 0.000 0.829 1185 K CB 2.450 34.809 32.500 -0.235 0.000 1.358 1185 K HN 0.627 nan 8.250 nan 0.000 0.430 1186 V N 2.223 122.052 119.914 -0.141 0.000 2.581 1186 V HA 0.595 4.970 4.120 0.425 0.000 0.303 1186 V C -1.088 174.761 176.094 -0.408 0.000 1.041 1186 V CA -0.669 61.575 62.300 -0.094 0.000 0.907 1186 V CB 0.956 32.824 31.823 0.074 0.000 0.994 1186 V HN 0.663 nan 8.190 nan 0.000 0.442 1187 F N 1.925 121.890 119.950 0.024 0.000 2.551 1187 F HA 0.531 5.311 4.527 0.423 0.000 0.316 1187 F C 0.104 175.910 175.800 0.010 0.000 1.089 1187 F CA -0.788 57.227 58.000 0.026 0.000 0.915 1187 F CB 1.953 40.978 39.000 0.042 0.000 1.186 1187 F HN 0.304 nan 8.300 nan 0.000 0.456 1188 K N 5.099 125.623 120.400 0.207 0.000 2.248 1188 K HA 0.636 5.211 4.320 0.425 0.000 0.281 1188 K C -0.893 175.790 176.600 0.139 0.000 1.054 1188 K CA -0.317 56.047 56.287 0.129 0.000 0.903 1188 K CB 0.640 33.194 32.500 0.090 0.000 1.077 1188 K HN 0.773 nan 8.250 nan 0.000 0.474 1189 I N 0.045 120.682 120.570 0.111 0.000 2.957 1189 I HA 0.464 4.889 4.170 0.425 0.000 0.310 1189 I C -0.697 175.471 176.117 0.084 0.000 1.063 1189 I CA -1.249 60.116 61.300 0.108 0.000 1.033 1189 I CB 1.739 39.818 38.000 0.132 0.000 1.230 1189 I HN 0.479 nan 8.210 nan 0.000 0.447 1190 K N 4.040 124.483 120.400 0.072 0.000 2.298 1190 K HA 0.399 4.974 4.320 0.425 0.000 0.280 1190 K C -2.389 174.242 176.600 0.052 0.000 1.032 1190 K CA -1.409 54.909 56.287 0.052 0.000 0.958 1190 K CB 0.685 33.208 32.500 0.038 0.000 0.978 1190 K HN 0.499 nan 8.250 nan 0.000 0.472 1191 P HA 0.156 nan 4.420 nan 0.000 0.293 1191 P C -1.036 176.276 177.300 0.021 0.000 1.313 1191 P CA -0.423 62.700 63.100 0.038 0.000 0.787 1191 P CB 1.173 32.898 31.700 0.041 0.000 0.910 1192 E N 2.881 123.086 120.200 0.007 0.000 2.390 1192 E HA 0.042 4.647 4.350 0.425 0.000 0.261 1192 E C 0.945 177.539 176.600 -0.010 0.000 1.076 1192 E CA -0.210 56.184 56.400 -0.010 0.000 0.905 1192 E CB 0.845 30.526 29.700 -0.033 0.000 0.984 1192 E HN 0.291 nan 8.360 nan 0.000 0.427 1193 K N 1.131 121.520 120.400 -0.018 0.000 2.097 1193 K HA -0.058 4.517 4.320 0.425 0.000 0.205 1193 K C 0.637 177.224 176.600 -0.021 0.000 1.050 1193 K CA 1.159 57.439 56.287 -0.012 0.000 0.938 1193 K CB 0.058 32.547 32.500 -0.018 0.000 0.718 1193 K HN 0.256 nan 8.250 nan 0.000 0.442 1194 R N 0.682 121.136 120.500 -0.076 0.000 2.368 1194 R HA 0.105 4.699 4.340 0.425 0.000 0.302 1194 R C 0.932 177.128 176.300 -0.173 0.000 1.002 1194 R CA -0.458 55.549 56.100 -0.156 0.000 0.929 1194 R CB 0.611 30.749 30.300 -0.270 0.000 1.073 1194 R HN 0.326 nan 8.270 nan 0.000 0.464 1195 W N 3.079 124.307 121.300 -0.119 0.000 2.392 1195 W HA -0.203 4.711 4.660 0.423 0.000 0.279 1195 W C 0.377 176.757 176.519 -0.231 0.000 1.225 1195 W CA 0.705 57.953 57.345 -0.162 0.000 1.233 1195 W CB -0.324 29.053 29.460 -0.139 0.000 1.122 1195 W HN 0.564 nan 8.180 nan 0.000 0.561 1196 Q N 1.185 120.313 119.800 -1.120 0.000 2.124 1196 Q HA -0.158 4.437 4.340 0.425 0.000 0.202 1196 Q C 1.824 177.517 176.000 -0.513 0.000 0.977 1196 Q CA 2.288 57.377 55.803 -1.191 0.000 0.850 1196 Q CB -0.544 27.375 28.738 -1.364 0.000 0.901 1196 Q HN 0.214 nan 8.270 nan 0.000 0.429 1197 D N -0.339 119.850 120.400 -0.353 0.000 2.234 1197 D HA -0.064 4.831 4.640 0.425 0.000 0.205 1197 D C 1.674 177.895 176.300 -0.132 0.000 0.962 1197 D CA 0.541 54.431 54.000 -0.183 0.000 0.855 1197 D CB 0.140 40.859 40.800 -0.134 0.000 0.951 1197 D HN 0.184 nan 8.370 nan 0.000 0.500 1198 I N 0.728 121.220 120.570 -0.129 0.000 2.179 1198 I HA -0.216 4.208 4.170 0.425 0.000 0.242 1198 I C 2.527 178.543 176.117 -0.169 0.000 1.088 1198 I CA 0.938 62.172 61.300 -0.110 0.000 1.357 1198 I CB -1.114 36.836 38.000 -0.084 0.000 1.051 1198 I HN -0.057 nan 8.210 nan 0.000 0.409 1199 S N 0.385 116.001 115.700 -0.139 0.000 2.355 1199 S HA -0.129 4.596 4.470 0.425 0.000 0.222 1199 S C 2.108 176.626 174.600 -0.138 0.000 1.031 1199 S CA 1.169 59.289 58.200 -0.132 0.000 0.993 1199 S CB -0.029 63.164 63.200 -0.011 0.000 0.859 1199 S HN 0.300 nan 8.310 nan 0.000 0.453 1200 M N -0.066 119.477 119.600 -0.095 0.000 2.200 1200 M HA 0.000 4.735 4.480 0.425 0.000 0.265 1200 M C 2.242 178.535 176.300 -0.012 0.000 1.066 1200 M CA 1.141 56.423 55.300 -0.028 0.000 1.127 1200 M CB -0.371 32.228 32.600 -0.002 0.000 1.379 1200 M HN 0.361 nan 8.290 nan 0.000 0.420 1201 M N 0.576 120.142 119.600 -0.056 0.000 2.358 1201 M HA -0.119 4.616 4.480 0.425 0.000 0.264 1201 M C 1.869 177.998 176.300 -0.284 0.000 1.064 1201 M CA 1.677 56.916 55.300 -0.102 0.000 1.093 1201 M CB -0.408 32.145 32.600 -0.078 0.000 1.401 1201 M HN 0.059 nan 8.290 nan 0.000 0.440 1202 R N -1.002 119.253 120.500 -0.408 0.000 2.117 1202 R HA -0.189 4.406 4.340 0.425 0.000 0.243 1202 R C 1.983 178.093 176.300 -0.316 0.000 1.143 1202 R CA 1.733 57.421 56.100 -0.686 0.000 0.968 1202 R CB -0.503 29.228 30.300 -0.949 0.000 0.863 1202 R HN 0.392 nan 8.270 nan 0.000 0.444 1203 M N 0.717 120.183 119.600 -0.223 0.000 2.108 1203 M HA -0.190 4.545 4.480 0.425 0.000 0.261 1203 M C 2.168 178.281 176.300 -0.312 0.000 1.066 1203 M CA 1.632 56.836 55.300 -0.159 0.000 1.107 1203 M CB -0.784 31.789 32.600 -0.045 0.000 1.356 1203 M HN 0.098 nan 8.290 nan 0.000 0.406 1204 K N -0.191 119.793 120.400 -0.694 0.000 2.001 1204 K HA -0.115 4.459 4.320 0.425 0.000 0.208 1204 K C 1.872 178.248 176.600 -0.373 0.000 1.048 1204 K CA 1.856 57.622 56.287 -0.869 0.000 0.932 1204 K CB -0.027 31.568 32.500 -1.509 0.000 0.715 1204 K HN 0.229 nan 8.250 nan 0.000 0.437 1205 T N 2.321 116.745 114.554 -0.215 0.000 2.720 1205 T HA -0.130 4.475 4.350 0.425 0.000 0.268 1205 T C 1.845 176.620 174.700 0.125 0.000 1.037 1205 T CA 1.266 63.387 62.100 0.035 0.000 1.144 1205 T CB -0.102 68.918 68.868 0.254 0.000 0.864 1205 T HN 0.141 nan 8.240 nan 0.000 0.444 1206 I N 1.623 122.255 120.570 0.102 0.000 2.163 1206 I HA -0.113 4.312 4.170 0.425 0.000 0.243 1206 I C 2.927 179.018 176.117 -0.044 0.000 1.085 1206 I CA 1.566 62.902 61.300 0.060 0.000 1.347 1206 I CB -1.805 36.241 38.000 0.077 0.000 1.044 1206 I HN 0.326 nan 8.210 nan 0.000 0.408 1207 G N 0.552 109.300 108.800 -0.087 0.000 2.440 1207 G HA2 -0.241 3.974 3.960 0.425 0.000 0.218 1207 G HA3 -0.241 3.974 3.960 0.425 0.000 0.218 1207 G C 1.553 176.365 174.900 -0.147 0.000 1.154 1207 G CA 0.597 45.625 45.100 -0.120 0.000 0.767 1207 G HN 0.464 nan 8.290 nan 0.000 0.552 1208 E N -0.221 119.882 120.200 -0.161 0.000 2.077 1208 E HA -0.135 4.470 4.350 0.425 0.000 0.193 1208 E C 2.274 178.690 176.600 -0.306 0.000 0.989 1208 E CA 0.924 57.193 56.400 -0.219 0.000 0.800 1208 E CB -0.257 29.296 29.700 -0.245 0.000 0.746 1208 E HN 0.504 nan 8.360 nan 0.000 0.452 1209 H N 0.320 119.215 119.070 -0.292 0.000 2.389 1209 H HA -0.050 4.762 4.556 0.426 0.000 0.299 1209 H C 2.301 177.247 175.328 -0.636 0.000 1.081 1209 H CA 1.011 56.773 56.048 -0.475 0.000 1.345 1209 H CB 0.009 29.445 29.762 -0.545 0.000 1.393 1209 H HN 0.183 nan 8.280 nan 0.000 0.520 1210 I N 0.204 120.570 120.570 -0.341 0.000 2.179 1210 I HA -0.238 4.187 4.170 0.425 0.000 0.242 1210 I C 2.493 178.420 176.117 -0.317 0.000 1.088 1210 I CA 0.812 61.906 61.300 -0.344 0.000 1.357 1210 I CB -0.178 37.687 38.000 -0.226 0.000 1.051 1210 I HN 0.005 nan 8.210 nan 0.000 0.409 1211 V N 0.952 120.722 119.914 -0.241 0.000 2.307 1211 V HA -0.259 4.116 4.120 0.425 0.000 0.245 1211 V C 2.684 178.692 176.094 -0.144 0.000 1.045 1211 V CA 1.964 64.153 62.300 -0.184 0.000 1.024 1211 V CB -1.025 30.720 31.823 -0.131 0.000 0.651 1211 V HN 0.483 nan 8.190 nan 0.000 0.449 1212 A N 0.237 122.969 122.820 -0.147 0.000 1.898 1212 A HA -0.188 4.386 4.320 0.425 0.000 0.216 1212 A C 1.934 179.598 177.584 0.133 0.000 1.181 1212 A CA 2.543 54.568 52.037 -0.020 0.000 0.620 1212 A CB -0.378 18.595 19.000 -0.045 0.000 0.819 1212 A HN 0.966 nan 8.150 nan 0.000 0.442 1213 H N -5.316 113.738 119.070 -0.027 0.000 2.950 1213 H HA 0.298 5.109 4.556 0.425 0.000 0.202 1213 H C 1.424 176.753 175.328 0.001 0.000 0.893 1213 H CA 0.152 56.244 56.048 0.073 0.000 0.931 1213 H CB -0.426 29.409 29.762 0.122 0.000 1.158 1213 H HN 0.159 nan 8.280 nan 0.000 0.545 1214 I N 2.386 122.576 120.570 -0.633 0.000 2.264 1214 I HA -0.292 4.133 4.170 0.425 0.000 0.248 1214 I C 2.536 178.532 176.117 -0.201 0.000 1.111 1214 I CA 2.208 63.279 61.300 -0.381 0.000 1.382 1214 I CB -0.386 37.254 38.000 -0.600 0.000 1.060 1214 I HN 0.534 nan 8.210 nan 0.000 0.418 1215 Q N 0.266 119.875 119.800 -0.319 0.000 2.291 1215 Q HA -0.212 4.383 4.340 0.425 0.000 0.206 1215 Q C 1.562 177.382 176.000 -0.301 0.000 0.976 1215 Q CA 1.490 57.090 55.803 -0.339 0.000 0.875 1215 Q CB -0.324 28.140 28.738 -0.456 0.000 0.927 1215 Q HN 0.586 nan 8.270 nan 0.000 0.450 1216 H N 0.054 119.120 119.070 -0.008 0.000 2.575 1216 H HA 0.192 5.004 4.556 0.426 0.000 0.267 1216 H C 0.688 176.046 175.328 0.049 0.000 0.966 1216 H CA 0.787 56.847 56.048 0.020 0.000 1.165 1216 H CB 0.612 30.395 29.762 0.036 0.000 1.433 1216 H HN 0.571 nan 8.280 nan 0.000 0.544 1217 E N 0.626 120.925 120.200 0.164 0.000 2.413 1217 E HA 0.105 4.710 4.350 0.425 0.000 0.203 1217 E C 0.548 177.230 176.600 0.135 0.000 0.957 1217 E CA 0.116 56.624 56.400 0.181 0.000 0.950 1217 E CB 1.298 31.177 29.700 0.299 0.000 0.957 1217 E HN 0.124 nan 8.360 nan 0.000 0.497 1218 V N -2.183 117.788 119.914 0.095 0.000 3.130 1218 V HA 0.340 4.715 4.120 0.425 0.000 0.310 1218 V C -0.302 175.767 176.094 -0.042 0.000 1.158 1218 V CA -0.859 61.480 62.300 0.065 0.000 1.029 1218 V CB 2.279 34.188 31.823 0.142 0.000 1.057 1218 V HN -0.164 nan 8.190 nan 0.000 0.436 1219 D N 0.411 120.756 120.400 -0.091 0.000 2.277 1219 D HA 0.243 5.138 4.640 0.425 0.000 0.209 1219 D C -0.349 175.537 176.300 -0.691 0.000 0.970 1219 D CA 1.519 55.307 54.000 -0.353 0.000 0.874 1219 D CB 0.588 41.206 40.800 -0.303 0.000 0.982 1219 D HN 0.510 nan 8.370 nan 0.000 0.504 1220 F N 0.089 120.009 119.950 -0.050 0.000 2.613 1220 F HA 0.440 5.228 4.527 0.434 0.000 0.310 1220 F C -0.685 175.098 175.800 -0.029 0.000 1.085 1220 F CA -1.190 56.758 58.000 -0.086 0.000 0.945 1220 F CB 2.222 41.132 39.000 -0.150 0.000 1.298 1220 F HN -0.330 nan 8.300 nan 0.000 0.455 1221 L N 2.094 123.377 121.223 0.100 0.000 2.431 1221 L HA 0.718 5.312 4.340 0.425 0.000 0.266 1221 L C -2.071 174.761 176.870 -0.062 0.000 0.978 1221 L CA -0.471 54.427 54.840 0.096 0.000 0.822 1221 L CB 1.622 43.706 42.059 0.040 0.000 1.310 1221 L HN 0.464 nan 8.230 nan 0.000 0.409 1222 F N 3.016 123.056 119.950 0.151 0.000 2.508 1222 F HA 0.624 5.429 4.527 0.463 0.000 0.325 1222 F C -0.381 175.347 175.800 -0.120 0.000 1.090 1222 F CA -0.327 57.695 58.000 0.037 0.000 0.945 1222 F CB 1.883 40.981 39.000 0.164 0.000 1.156 1222 F HN 0.434 nan 8.300 nan 0.000 0.463 1223 C N 5.114 124.300 119.300 -0.191 0.000 2.301 1223 C HA 0.768 5.483 4.460 0.425 0.000 0.323 1223 C C -0.209 174.591 174.990 -0.318 0.000 1.265 1223 C CA -1.023 57.767 59.018 -0.380 0.000 1.503 1223 C CB -0.172 27.026 27.740 -0.903 0.000 2.195 1223 C HN 0.704 nan 8.230 nan 0.000 0.477 1224 M N 1.549 121.070 119.600 -0.132 0.000 2.619 1224 M HA 0.403 5.138 4.480 0.425 0.000 0.297 1224 M C -1.013 175.175 176.300 -0.186 0.000 1.229 1224 M CA -0.492 54.732 55.300 -0.126 0.000 0.860 1224 M CB 1.643 34.218 32.600 -0.042 0.000 1.741 1224 M HN 0.483 nan 8.290 nan 0.000 0.462 1225 D N 0.753 121.033 120.400 -0.200 0.000 2.357 1225 D HA 0.091 4.986 4.640 0.425 0.000 0.242 1225 D C 0.435 176.510 176.300 -0.375 0.000 1.153 1225 D CA -0.035 53.835 54.000 -0.217 0.000 0.918 1225 D CB 1.599 42.273 40.800 -0.210 0.000 1.181 1225 D HN 0.337 nan 8.370 nan 0.000 0.435 1226 V N 1.137 120.859 119.914 -0.320 0.000 3.174 1226 V HA -0.064 4.311 4.120 0.425 0.000 0.254 1226 V C 0.424 176.404 176.094 -0.190 0.000 1.120 1226 V CA 0.649 62.688 62.300 -0.435 0.000 1.114 1226 V CB -0.194 31.532 31.823 -0.161 0.000 0.756 1226 V HN 0.561 nan 8.190 nan 0.000 0.467 1227 D N 1.945 122.182 120.400 -0.273 0.000 3.032 1227 D HA 0.067 4.962 4.640 0.425 0.000 0.241 1227 D C 0.224 176.338 176.300 -0.310 0.000 1.196 1227 D CA -0.084 53.535 54.000 -0.636 0.000 0.927 1227 D CB -0.205 40.131 40.800 -0.774 0.000 1.129 1227 D HN 0.779 nan 8.370 nan 0.000 0.458 1228 Q N -1.808 117.950 119.800 -0.069 0.000 2.630 1228 Q HA 0.608 5.203 4.340 0.425 0.000 0.295 1228 Q C -1.870 174.213 176.000 0.138 0.000 0.944 1228 Q CA -1.168 54.658 55.803 0.038 0.000 0.766 1228 Q CB 1.596 30.321 28.738 -0.021 0.000 1.471 1228 Q HN -0.046 nan 8.270 nan 0.000 0.416 1229 V N 1.240 121.201 119.914 0.079 0.000 2.686 1229 V HA 0.461 4.836 4.120 0.425 0.000 0.306 1229 V C -0.999 175.110 176.094 0.024 0.000 1.065 1229 V CA -0.709 61.641 62.300 0.083 0.000 0.894 1229 V CB 1.641 33.556 31.823 0.154 0.000 1.004 1229 V HN 0.695 nan 8.190 nan 0.000 0.424 1230 F N 3.012 122.958 119.950 -0.007 0.000 2.484 1230 F HA 0.272 5.074 4.527 0.459 0.000 0.360 1230 F C 1.478 177.301 175.800 0.039 0.000 1.101 1230 F CA 0.345 58.366 58.000 0.036 0.000 1.251 1230 F CB 0.855 39.893 39.000 0.064 0.000 1.132 1230 F HN 0.488 nan 8.300 nan 0.000 0.570 1231 Q N 0.689 120.522 119.800 0.055 0.000 2.322 1231 Q HA 0.177 4.772 4.340 0.425 0.000 0.250 1231 Q C -0.163 175.565 176.000 -0.454 0.000 0.853 1231 Q CA 0.461 56.218 55.803 -0.076 0.000 0.951 1231 Q CB 1.010 29.787 28.738 0.064 0.000 1.114 1231 Q HN 0.664 nan 8.270 nan 0.000 0.523 1232 D N -0.475 119.582 120.400 -0.572 0.000 2.768 1232 D HA 0.141 5.036 4.640 0.425 0.000 0.327 1232 D C -0.893 175.299 176.300 -0.180 0.000 1.302 1232 D CA -0.504 53.189 54.000 -0.511 0.000 0.897 1232 D CB 1.398 42.104 40.800 -0.156 0.000 1.420 1232 D HN -0.329 nan 8.370 nan 0.000 0.494 1233 K N 0.994 121.433 120.400 0.065 0.000 2.466 1233 K HA 0.046 4.621 4.320 0.425 0.000 0.278 1233 K C -0.272 176.457 176.600 0.214 0.000 1.048 1233 K CA 0.415 56.819 56.287 0.196 0.000 1.088 1233 K CB -0.395 32.205 32.500 0.167 0.000 0.884 1233 K HN 0.315 nan 8.250 nan 0.000 0.478 1234 F N 2.583 122.625 119.950 0.152 0.000 2.453 1234 F HA 0.321 5.092 4.527 0.407 0.000 0.358 1234 F C 0.613 176.418 175.800 0.009 0.000 1.129 1234 F CA -0.534 57.592 58.000 0.209 0.000 1.200 1234 F CB 0.642 39.925 39.000 0.471 0.000 1.431 1234 F HN 0.569 nan 8.300 nan 0.000 0.503 1235 G N 1.381 110.227 108.800 0.078 0.000 2.702 1235 G HA2 0.298 4.513 3.960 0.425 0.000 0.254 1235 G HA3 0.298 4.513 3.960 0.425 0.000 0.254 1235 G C 0.909 175.689 174.900 -0.200 0.000 1.380 1235 G CA -0.088 44.973 45.100 -0.064 0.000 1.042 1235 G HN 0.524 nan 8.290 nan 0.000 0.557 1236 V N -0.675 119.090 119.914 -0.249 0.000 2.828 1236 V HA -0.116 4.259 4.120 0.425 0.000 0.260 1236 V C 2.236 178.095 176.094 -0.391 0.000 1.101 1236 V CA 2.389 64.458 62.300 -0.385 0.000 1.123 1236 V CB -0.752 30.886 31.823 -0.309 0.000 0.704 1236 V HN 0.738 nan 8.190 nan 0.000 0.493 1237 E N 2.666 122.636 120.200 -0.383 0.000 2.409 1237 E HA -0.197 4.408 4.350 0.425 0.000 0.198 1237 E C 1.799 178.074 176.600 -0.541 0.000 1.024 1237 E CA 1.651 57.739 56.400 -0.520 0.000 0.861 1237 E CB -0.837 28.549 29.700 -0.524 0.000 0.788 1237 E HN 0.831 nan 8.360 nan 0.000 0.521 1238 T N -1.279 113.008 114.554 -0.445 0.000 3.086 1238 T HA 0.263 4.868 4.350 0.425 0.000 0.250 1238 T C 1.070 175.685 174.700 -0.141 0.000 1.074 1238 T CA -0.392 61.508 62.100 -0.333 0.000 0.988 1238 T CB -0.223 68.449 68.868 -0.326 0.000 0.988 1238 T HN 0.005 nan 8.240 nan 0.000 0.530 1239 L N 1.486 122.481 121.223 -0.380 0.000 2.417 1239 L HA 0.670 5.265 4.340 0.425 0.000 0.268 1239 L C 0.937 177.490 176.870 -0.529 0.000 1.158 1239 L CA -0.114 54.336 54.840 -0.649 0.000 0.819 1239 L CB 0.715 41.996 42.059 -1.296 0.000 1.112 1239 L HN 0.480 nan 8.230 nan 0.000 0.458 1240 G N 0.804 109.350 108.800 -0.424 0.000 2.349 1240 G HA2 0.132 4.347 3.960 0.425 0.000 0.294 1240 G HA3 0.132 4.347 3.960 0.425 0.000 0.294 1240 G C -0.120 174.887 174.900 0.180 0.000 1.380 1240 G CA -0.455 44.612 45.100 -0.055 0.000 0.811 1240 G HN 0.428 nan 8.290 nan 0.000 0.519 1241 E N -0.341 119.976 120.200 0.195 0.000 2.038 1241 E HA -0.050 4.554 4.350 0.425 0.000 0.195 1241 E C 1.272 177.955 176.600 0.138 0.000 1.000 1241 E CA 1.932 58.441 56.400 0.181 0.000 0.803 1241 E CB -0.167 29.619 29.700 0.144 0.000 0.750 1241 E HN 0.673 nan 8.360 nan 0.000 0.448 1242 S N -0.263 115.509 115.700 0.120 0.000 2.677 1242 S HA 0.522 5.247 4.470 0.425 0.000 0.283 1242 S C -0.543 174.095 174.600 0.063 0.000 1.159 1242 S CA -0.973 57.314 58.200 0.145 0.000 1.001 1242 S CB 1.995 65.342 63.200 0.245 0.000 1.032 1242 S HN -0.099 nan 8.310 nan 0.000 0.487 1243 V N 2.138 122.080 119.914 0.047 0.000 2.448 1243 V HA 0.896 5.271 4.120 0.425 0.000 0.295 1243 V C 0.347 176.435 176.094 -0.009 0.000 1.025 1243 V CA -0.474 61.821 62.300 -0.009 0.000 0.859 1243 V CB 1.188 33.028 31.823 0.028 0.000 0.988 1243 V HN 1.208 nan 8.190 nan 0.000 0.431 1244 A N 3.713 126.380 122.820 -0.256 0.000 2.354 1244 A HA 0.903 5.478 4.320 0.425 0.000 0.321 1244 A C -0.768 176.805 177.584 -0.018 0.000 1.125 1244 A CA -0.710 51.116 52.037 -0.352 0.000 0.799 1244 A CB 1.892 20.090 19.000 -1.338 0.000 1.293 1244 A HN 0.753 nan 8.150 nan 0.000 0.452 1245 Q N 0.674 120.578 119.800 0.173 0.000 2.333 1245 Q HA 0.622 5.217 4.340 0.425 0.000 0.267 1245 Q C -1.644 174.542 176.000 0.310 0.000 1.012 1245 Q CA -0.223 55.716 55.803 0.225 0.000 0.824 1245 Q CB 1.182 30.089 28.738 0.281 0.000 1.290 1245 Q HN 0.636 nan 8.270 nan 0.000 0.449 1246 L N 3.353 124.696 121.223 0.200 0.000 2.331 1246 L HA 0.287 4.882 4.340 0.425 0.000 0.278 1246 L C 0.474 177.524 176.870 0.301 0.000 1.106 1246 L CA -0.457 54.508 54.840 0.209 0.000 0.824 1246 L CB 1.045 43.167 42.059 0.104 0.000 1.142 1246 L HN 0.581 nan 8.230 nan 0.000 0.443 1247 Q N 2.022 122.023 119.800 0.335 0.000 2.297 1247 Q HA 0.074 4.669 4.340 0.425 0.000 0.267 1247 Q C 0.836 177.108 176.000 0.454 0.000 1.006 1247 Q CA 0.226 56.257 55.803 0.379 0.000 0.896 1247 Q CB 1.695 30.657 28.738 0.373 0.000 1.186 1247 Q HN 0.848 nan 8.270 nan 0.000 0.392 1248 A N 4.378 127.438 122.820 0.401 0.000 1.927 1248 A HA -0.212 4.363 4.320 0.425 0.000 0.220 1248 A C 1.260 178.892 177.584 0.080 0.000 1.185 1248 A CA 1.622 53.757 52.037 0.164 0.000 0.639 1248 A CB -0.665 18.091 19.000 -0.407 0.000 0.820 1248 A HN 0.913 nan 8.150 nan 0.000 0.451 1249 W N -2.756 118.538 121.300 -0.009 0.000 2.800 1249 W HA 0.124 5.040 4.660 0.426 0.000 0.249 1249 W C 1.102 177.366 176.519 -0.426 0.000 1.294 1249 W CA 0.136 57.314 57.345 -0.278 0.000 1.402 1249 W CB -0.240 28.954 29.460 -0.443 0.000 1.126 1249 W HN 0.528 nan 8.180 nan 0.000 0.652 1250 W N -1.612 119.874 121.300 0.310 0.000 2.702 1250 W HA 0.166 5.073 4.660 0.412 0.000 0.369 1250 W C 1.690 178.380 176.519 0.285 0.000 0.987 1250 W CA -0.772 56.705 57.345 0.220 0.000 1.702 1250 W CB -1.155 28.323 29.460 0.031 0.000 1.138 1250 W HN 0.009 nan 8.180 nan 0.000 0.552 1251 Y N 0.520 121.057 120.300 0.395 0.000 2.384 1251 Y HA -0.040 4.791 4.550 0.468 0.000 0.289 1251 Y C 1.505 177.656 175.900 0.418 0.000 1.152 1251 Y CA 1.457 59.803 58.100 0.411 0.000 1.258 1251 Y CB -0.488 38.193 38.460 0.369 0.000 0.979 1251 Y HN -0.128 nan 8.280 nan 0.000 0.549 1252 K N 0.710 120.997 120.400 -0.188 0.000 2.358 1252 K HA 0.419 4.994 4.320 0.425 0.000 0.197 1252 K C 0.669 177.306 176.600 0.061 0.000 1.025 1252 K CA 0.219 56.422 56.287 -0.140 0.000 1.104 1252 K CB 0.467 32.730 32.500 -0.395 0.000 0.855 1252 K HN 0.313 nan 8.250 nan 0.000 0.531 1253 A N 1.620 124.581 122.820 0.235 0.000 2.287 1253 A HA 0.062 4.637 4.320 0.425 0.000 0.273 1253 A C -0.291 177.380 177.584 0.145 0.000 1.091 1253 A CA -0.407 51.794 52.037 0.273 0.000 0.817 1253 A CB 0.313 19.648 19.000 0.558 0.000 1.069 1253 A HN 0.158 nan 8.150 nan 0.000 0.492 1254 D N 0.689 121.067 120.400 -0.037 0.000 2.351 1254 D HA 0.188 5.083 4.640 0.425 0.000 0.251 1254 D C -1.668 174.194 176.300 -0.730 0.000 1.137 1254 D CA -1.457 52.400 54.000 -0.239 0.000 0.879 1254 D CB 1.204 41.923 40.800 -0.134 0.000 1.181 1254 D HN 0.078 nan 8.370 nan 0.000 0.448 1255 P HA -0.144 nan 4.420 nan 0.000 0.217 1255 P C 0.748 177.488 177.300 -0.934 0.000 1.148 1255 P CA 0.972 63.027 63.100 -1.742 0.000 0.834 1255 P CB 0.222 31.548 31.700 -0.623 0.000 0.783 1256 N N -0.929 117.538 118.700 -0.389 0.000 2.571 1256 N HA -0.078 4.917 4.740 0.425 0.000 0.189 1256 N C 0.559 176.084 175.510 0.025 0.000 1.154 1256 N CA 0.912 53.948 53.050 -0.023 0.000 0.907 1256 N CB -0.257 38.275 38.487 0.075 0.000 0.977 1256 N HN 0.261 nan 8.380 nan 0.000 0.449 1257 D N -0.539 119.772 120.400 -0.149 0.000 2.407 1257 D HA 0.101 4.996 4.640 0.425 0.000 0.208 1257 D C 0.411 176.647 176.300 -0.107 0.000 1.083 1257 D CA -0.147 53.868 54.000 0.026 0.000 0.844 1257 D CB 0.327 41.231 40.800 0.175 0.000 0.967 1257 D HN 0.152 nan 8.370 nan 0.000 0.506 1258 F N 1.781 121.434 119.950 -0.495 0.000 2.595 1258 F HA -0.033 4.755 4.527 0.436 0.000 0.359 1258 F C 1.806 176.994 175.800 -1.021 0.000 1.147 1258 F CA -0.000 57.325 58.000 -1.124 0.000 1.341 1258 F CB 0.671 38.883 39.000 -1.314 0.000 1.104 1258 F HN -0.183 nan 8.300 nan 0.000 0.603 1259 T N 0.307 114.153 114.554 -1.180 0.000 3.467 1259 T HA 0.187 4.792 4.350 0.425 0.000 0.232 1259 T C -0.132 174.521 174.700 -0.079 0.000 0.876 1259 T CA -0.339 61.433 62.100 -0.546 0.000 0.939 1259 T CB -1.196 67.338 68.868 -0.557 0.000 1.165 1259 T HN 0.347 nan 8.240 nan 0.000 0.615 1260 Y N 0.921 121.200 120.300 -0.035 0.000 2.335 1260 Y HA 0.228 5.031 4.550 0.422 0.000 0.348 1260 Y C 1.158 177.073 175.900 0.026 0.000 1.280 1260 Y CA -1.253 56.894 58.100 0.078 0.000 1.504 1260 Y CB 0.476 38.931 38.460 -0.008 0.000 1.366 1260 Y HN 0.238 nan 8.280 nan 0.000 0.621 1261 E N 1.323 121.630 120.200 0.179 0.000 2.324 1261 E HA 0.052 4.657 4.350 0.425 0.000 0.271 1261 E C -0.142 176.508 176.600 0.083 0.000 1.028 1261 E CA -0.121 56.329 56.400 0.083 0.000 0.890 1261 E CB 0.556 30.254 29.700 -0.004 0.000 1.004 1261 E HN 0.375 nan 8.360 nan 0.000 0.431 1262 R N 3.837 124.397 120.500 0.101 0.000 2.397 1262 R HA 0.204 4.799 4.340 0.425 0.000 0.241 1262 R C -0.097 176.373 176.300 0.283 0.000 0.914 1262 R CA -0.064 56.124 56.100 0.146 0.000 1.071 1262 R CB 0.105 30.417 30.300 0.020 0.000 1.116 1262 R HN 0.392 nan 8.270 nan 0.000 0.524 1263 R N 1.932 122.523 120.500 0.153 0.000 2.221 1263 R HA 0.104 4.699 4.340 0.425 0.000 0.327 1263 R C 1.271 177.423 176.300 -0.247 0.000 1.033 1263 R CA -0.114 55.967 56.100 -0.032 0.000 0.887 1263 R CB 0.930 31.208 30.300 -0.036 0.000 1.057 1263 R HN 0.105 nan 8.270 nan 0.000 0.455 1264 K N 1.637 121.635 120.400 -0.670 0.000 2.281 1264 K HA -0.180 4.395 4.320 0.425 0.000 0.203 1264 K C 0.383 176.744 176.600 -0.399 0.000 1.046 1264 K CA 1.395 57.078 56.287 -1.007 0.000 0.938 1264 K CB 0.173 32.167 32.500 -0.843 0.000 0.737 1264 K HN 0.395 nan 8.250 nan 0.000 0.458 1265 E N 1.392 121.453 120.200 -0.233 0.000 2.347 1265 E HA -0.006 4.599 4.350 0.425 0.000 0.196 1265 E C 0.459 177.011 176.600 -0.081 0.000 1.008 1265 E CA 0.403 56.725 56.400 -0.129 0.000 0.852 1265 E CB 0.211 29.853 29.700 -0.097 0.000 0.783 1265 E HN 0.266 nan 8.360 nan 0.000 0.505 1266 S N -0.558 115.103 115.700 -0.065 0.000 2.554 1266 S HA 0.472 5.197 4.470 0.425 0.000 0.278 1266 S C 1.101 175.712 174.600 0.017 0.000 1.242 1266 S CA -0.090 58.099 58.200 -0.019 0.000 1.051 1266 S CB 1.313 64.495 63.200 -0.030 0.000 0.986 1266 S HN 0.180 nan 8.310 nan 0.000 0.502 1267 A N 3.866 126.710 122.820 0.039 0.000 2.121 1267 A HA 0.205 4.779 4.320 0.425 0.000 0.218 1267 A C 1.888 179.491 177.584 0.031 0.000 1.154 1267 A CA 1.404 53.477 52.037 0.059 0.000 0.679 1267 A CB -0.737 18.321 19.000 0.097 0.000 0.795 1267 A HN 1.146 nan 8.150 nan 0.000 0.458 1268 A N -1.801 120.970 122.820 -0.082 0.000 2.275 1268 A HA 0.317 4.892 4.320 0.425 0.000 0.212 1268 A C 0.615 178.138 177.584 -0.101 0.000 1.201 1268 A CA -0.458 51.454 52.037 -0.209 0.000 0.843 1268 A CB -0.527 18.112 19.000 -0.602 0.000 0.873 1268 A HN 0.501 nan 8.150 nan 0.000 0.492 1269 Y N 1.368 121.581 120.300 -0.144 0.000 2.810 1269 Y HA 0.194 5.000 4.550 0.426 0.000 0.332 1269 Y C -0.356 175.452 175.900 -0.153 0.000 1.243 1269 Y CA -0.106 57.917 58.100 -0.128 0.000 1.537 1269 Y CB 0.200 38.604 38.460 -0.093 0.000 1.265 1269 Y HN 0.169 nan 8.280 nan 0.000 0.572 1270 I N 9.431 129.524 120.570 -0.796 0.000 2.468 1270 I HA 0.246 4.670 4.170 0.425 0.000 0.284 1270 I C -2.448 173.064 176.117 -1.008 0.000 1.038 1270 I CA -2.517 58.297 61.300 -0.810 0.000 1.083 1270 I CB 1.572 39.155 38.000 -0.695 0.000 1.223 1270 I HN 0.510 nan 8.210 nan 0.000 0.443 1271 P HA 0.211 nan 4.420 nan 0.000 0.274 1271 P C -0.392 176.732 177.300 -0.293 0.000 1.237 1271 P CA -0.212 62.533 63.100 -0.591 0.000 0.793 1271 P CB 0.649 32.207 31.700 -0.236 0.000 0.977 1272 F N 0.272 120.212 119.950 -0.017 0.000 2.563 1272 F HA 0.313 5.095 4.527 0.425 0.000 0.363 1272 F C 2.018 177.814 175.800 -0.006 0.000 1.123 1272 F CA 1.960 59.963 58.000 0.005 0.000 1.307 1272 F CB -0.197 38.814 39.000 0.019 0.000 1.115 1272 F HN 0.698 nan 8.300 nan 0.000 0.592 1273 G N 1.200 110.100 108.800 0.165 0.000 2.194 1273 G HA2 -0.200 4.015 3.960 0.425 0.000 0.236 1273 G HA3 -0.200 4.015 3.960 0.425 0.000 0.236 1273 G C -0.193 174.733 174.900 0.043 0.000 0.987 1273 G CA -0.283 44.868 45.100 0.086 0.000 0.635 1273 G HN 0.580 nan 8.290 nan 0.000 0.520 1274 E N -0.623 119.595 120.200 0.030 0.000 2.336 1274 E HA 0.618 5.223 4.350 0.425 0.000 0.267 1274 E C 0.114 176.770 176.600 0.093 0.000 0.906 1274 E CA -0.405 56.005 56.400 0.015 0.000 0.781 1274 E CB 2.316 31.979 29.700 -0.062 0.000 1.261 1274 E HN 1.521 nan 8.360 nan 0.000 0.436 1275 G N 1.493 110.362 108.800 0.114 0.000 2.764 1275 G HA2 -0.088 4.127 3.960 0.425 0.000 0.678 1275 G HA3 -0.088 4.127 3.960 0.425 0.000 0.678 1275 G C -0.600 174.445 174.900 0.242 0.000 1.341 1275 G CA -0.641 44.632 45.100 0.288 0.000 0.836 1275 G HN 0.531 nan 8.290 nan 0.000 0.632 1276 D N -0.003 120.575 120.400 0.296 0.000 2.566 1276 D HA 0.294 5.188 4.640 0.425 0.000 0.253 1276 D C 0.598 176.742 176.300 -0.260 0.000 0.992 1276 D CA 1.276 55.328 54.000 0.087 0.000 0.940 1276 D CB 0.429 41.515 40.800 0.476 0.000 1.095 1276 D HN 0.318 nan 8.370 nan 0.000 0.480 1277 F N -1.186 118.965 119.950 0.335 0.000 2.715 1277 F HA 0.327 5.121 4.527 0.444 0.000 0.318 1277 F C -1.071 174.514 175.800 -0.358 0.000 1.141 1277 F CA -1.292 56.760 58.000 0.087 0.000 0.950 1277 F CB 1.601 40.459 39.000 -0.236 0.000 1.374 1277 F HN -0.300 nan 8.300 nan 0.000 0.477 1278 Y N 1.835 121.705 120.300 -0.716 0.000 2.491 1278 Y HA 0.493 5.297 4.550 0.424 0.000 0.334 1278 Y C -1.119 174.598 175.900 -0.305 0.000 0.969 1278 Y CA -0.882 56.734 58.100 -0.806 0.000 1.241 1278 Y CB 0.263 37.867 38.460 -1.427 0.000 1.105 1278 Y HN 0.414 nan 8.280 nan 0.000 0.503 1279 Y N 3.759 123.930 120.300 -0.215 0.000 2.301 1279 Y HA 0.166 4.961 4.550 0.408 0.000 0.328 1279 Y C 0.309 176.142 175.900 -0.111 0.000 1.242 1279 Y CA -0.331 57.747 58.100 -0.036 0.000 1.323 1279 Y CB 0.593 39.151 38.460 0.163 0.000 1.266 1279 Y HN 0.536 nan 8.280 nan 0.000 0.527 1280 H N 1.225 120.395 119.070 0.168 0.000 2.519 1280 H HA 0.417 5.212 4.556 0.399 0.000 0.316 1280 H C 0.137 175.567 175.328 0.170 0.000 1.065 1280 H CA -0.422 55.697 56.048 0.117 0.000 1.264 1280 H CB 1.366 31.237 29.762 0.182 0.000 1.413 1280 H HN 0.956 nan 8.280 nan 0.000 0.465 1281 A N 4.026 126.998 122.820 0.253 0.000 2.239 1281 A HA 0.002 4.577 4.320 0.425 0.000 0.209 1281 A C 2.097 179.735 177.584 0.090 0.000 1.171 1281 A CA 0.958 53.102 52.037 0.178 0.000 0.768 1281 A CB -0.401 18.684 19.000 0.142 0.000 0.790 1281 A HN 0.787 nan 8.150 nan 0.000 0.478 1282 A N -0.528 122.094 122.820 -0.331 0.000 2.119 1282 A HA 0.345 4.920 4.320 0.425 0.000 0.217 1282 A C 0.738 178.212 177.584 -0.184 0.000 1.153 1282 A CA 0.743 52.510 52.037 -0.452 0.000 0.692 1282 A CB -0.206 18.145 19.000 -1.082 0.000 0.799 1282 A HN 0.457 nan 8.150 nan 0.000 0.458 1283 I N -0.545 120.030 120.570 0.009 0.000 2.627 1283 I HA 0.465 4.890 4.170 0.425 0.000 0.288 1283 I C -1.296 175.067 176.117 0.410 0.000 1.202 1283 I CA -0.649 60.744 61.300 0.154 0.000 1.050 1283 I CB 2.119 40.216 38.000 0.160 0.000 1.264 1283 I HN 0.293 nan 8.210 nan 0.000 0.429 1284 F N 3.727 123.864 119.950 0.310 0.000 2.678 1284 F HA 0.973 5.750 4.527 0.416 0.000 0.308 1284 F C -0.297 175.641 175.800 0.230 0.000 1.118 1284 F CA -0.551 57.628 58.000 0.299 0.000 0.959 1284 F CB 1.551 40.700 39.000 0.247 0.000 1.305 1284 F HN 0.540 nan 8.300 nan 0.000 0.443 1285 G N -0.386 108.502 108.800 0.146 0.000 2.561 1285 G HA2 0.820 5.035 3.960 0.425 0.000 0.310 1285 G HA3 0.820 5.035 3.960 0.425 0.000 0.310 1285 G C -0.761 174.028 174.900 -0.184 0.000 1.292 1285 G CA -0.236 44.660 45.100 -0.339 0.000 0.811 1285 G HN 2.120 nan 8.290 nan 0.000 0.482 1286 G N -1.778 106.869 108.800 -0.255 0.000 2.339 1286 G HA2 0.563 4.778 3.960 0.425 0.000 0.275 1286 G HA3 0.563 4.778 3.960 0.425 0.000 0.275 1286 G C 0.007 174.955 174.900 0.080 0.000 1.323 1286 G CA 0.847 45.945 45.100 -0.003 0.000 0.927 1286 G HN 1.965 nan 8.290 nan 0.000 0.486 1287 T N -0.608 113.988 114.554 0.071 0.000 2.860 1287 T HA 0.513 5.118 4.350 0.425 0.000 0.299 1287 T C -1.273 173.379 174.700 -0.080 0.000 1.045 1287 T CA -0.326 61.715 62.100 -0.098 0.000 1.071 1287 T CB 1.651 70.434 68.868 -0.141 0.000 0.985 1287 T HN 0.210 nan 8.240 nan 0.000 0.537 1288 P HA -0.094 nan 4.420 nan 0.000 0.216 1288 P C 1.671 178.915 177.300 -0.094 0.000 1.150 1288 P CA 1.184 64.216 63.100 -0.112 0.000 0.843 1288 P CB -0.217 31.393 31.700 -0.149 0.000 0.787 1289 T N -0.633 113.869 114.554 -0.086 0.000 2.684 1289 T HA -0.181 4.424 4.350 0.425 0.000 0.267 1289 T C 1.808 176.491 174.700 -0.028 0.000 1.036 1289 T CA 1.246 63.311 62.100 -0.059 0.000 1.148 1289 T CB -0.645 68.196 68.868 -0.046 0.000 0.863 1289 T HN 0.152 nan 8.240 nan 0.000 0.436 1290 Q N 0.486 120.284 119.800 -0.004 0.000 2.079 1290 Q HA 0.007 4.602 4.340 0.425 0.000 0.200 1290 Q C 2.680 178.682 176.000 0.004 0.000 0.974 1290 Q CA 0.882 56.706 55.803 0.034 0.000 0.840 1290 Q CB -0.889 27.896 28.738 0.078 0.000 0.898 1290 Q HN 0.410 nan 8.270 nan 0.000 0.430 1291 V N 1.389 121.303 119.914 -0.001 0.000 2.407 1291 V HA -0.225 4.150 4.120 0.425 0.000 0.248 1291 V C 2.338 178.405 176.094 -0.045 0.000 1.055 1291 V CA 1.288 63.595 62.300 0.012 0.000 1.049 1291 V CB -0.687 31.153 31.823 0.027 0.000 0.662 1291 V HN 0.216 nan 8.190 nan 0.000 0.455 1292 L N 1.012 122.198 121.223 -0.062 0.000 2.046 1292 L HA -0.173 4.421 4.340 0.425 0.000 0.208 1292 L C 2.094 178.912 176.870 -0.086 0.000 1.077 1292 L CA 2.348 57.141 54.840 -0.078 0.000 0.747 1292 L CB -0.990 41.020 42.059 -0.081 0.000 0.896 1292 L HN 0.381 nan 8.230 nan 0.000 0.432 1293 N N -0.559 118.099 118.700 -0.070 0.000 2.142 1293 N HA -0.148 4.847 4.740 0.425 0.000 0.186 1293 N C 1.809 177.189 175.510 -0.217 0.000 1.023 1293 N CA 1.662 54.684 53.050 -0.047 0.000 0.852 1293 N CB -0.206 38.318 38.487 0.061 0.000 0.998 1293 N HN 0.472 nan 8.380 nan 0.000 0.424 1294 I N -0.099 120.192 120.570 -0.464 0.000 2.127 1294 I HA -0.302 4.123 4.170 0.425 0.000 0.241 1294 I C 2.251 177.967 176.117 -0.667 0.000 1.075 1294 I CA 1.704 62.349 61.300 -1.092 0.000 1.334 1294 I CB -0.828 36.633 38.000 -0.898 0.000 1.040 1294 I HN 0.375 nan 8.210 nan 0.000 0.405 1295 T N -1.624 112.727 114.554 -0.339 0.000 2.821 1295 T HA -0.204 4.401 4.350 0.425 0.000 0.267 1295 T C 1.815 176.441 174.700 -0.124 0.000 1.046 1295 T CA 1.076 63.057 62.100 -0.199 0.000 1.139 1295 T CB -0.451 68.369 68.868 -0.080 0.000 0.871 1295 T HN 0.374 nan 8.240 nan 0.000 0.454 1296 Q N 0.387 120.125 119.800 -0.104 0.000 2.050 1296 Q HA -0.108 4.487 4.340 0.425 0.000 0.202 1296 Q C 2.666 178.664 176.000 -0.004 0.000 0.980 1296 Q CA 1.428 57.214 55.803 -0.027 0.000 0.840 1296 Q CB -0.064 28.658 28.738 -0.027 0.000 0.898 1296 Q HN 0.526 nan 8.270 nan 0.000 0.424 1297 E N -0.012 120.167 120.200 -0.035 0.000 2.072 1297 E HA -0.157 4.448 4.350 0.425 0.000 0.191 1297 E C 2.119 178.709 176.600 -0.018 0.000 0.985 1297 E CA 0.774 57.188 56.400 0.023 0.000 0.801 1297 E CB -0.395 29.417 29.700 0.186 0.000 0.750 1297 E HN 0.375 nan 8.360 nan 0.000 0.452 1298 C N 0.498 119.737 119.300 -0.103 0.000 2.429 1298 C HA -0.119 4.596 4.460 0.425 0.000 0.277 1298 C C 2.494 177.394 174.990 -0.150 0.000 1.262 1298 C CA 0.326 59.271 59.018 -0.121 0.000 1.733 1298 C CB -1.199 26.420 27.740 -0.201 0.000 2.010 1298 C HN 0.321 nan 8.230 nan 0.000 0.483 1299 F N 1.817 121.634 119.950 -0.221 0.000 2.186 1299 F HA -0.059 4.722 4.527 0.423 0.000 0.299 1299 F C 2.227 177.914 175.800 -0.188 0.000 1.090 1299 F CA 1.481 59.355 58.000 -0.211 0.000 1.307 1299 F CB -0.406 38.502 39.000 -0.154 0.000 1.019 1299 F HN 0.160 nan 8.300 nan 0.000 0.489 1300 K N -0.418 119.903 120.400 -0.133 0.000 2.097 1300 K HA -0.098 4.477 4.320 0.425 0.000 0.206 1300 K C 2.378 178.842 176.600 -0.227 0.000 1.049 1300 K CA 1.208 57.391 56.287 -0.173 0.000 0.933 1300 K CB -0.867 31.597 32.500 -0.061 0.000 0.717 1300 K HN 0.398 nan 8.250 nan 0.000 0.442 1301 G N 1.261 109.939 108.800 -0.204 0.000 2.402 1301 G HA2 -0.208 4.007 3.960 0.425 0.000 0.216 1301 G HA3 -0.208 4.007 3.960 0.425 0.000 0.216 1301 G C 1.497 176.183 174.900 -0.356 0.000 1.162 1301 G CA 0.553 45.561 45.100 -0.152 0.000 0.777 1301 G HN 0.128 nan 8.290 nan 0.000 0.539 1302 I N 0.350 120.490 120.570 -0.717 0.000 2.179 1302 I HA -0.135 4.290 4.170 0.425 0.000 0.242 1302 I C 2.689 178.523 176.117 -0.472 0.000 1.088 1302 I CA 0.755 61.650 61.300 -0.674 0.000 1.357 1302 I CB -0.174 37.444 38.000 -0.637 0.000 1.051 1302 I HN 0.130 nan 8.210 nan 0.000 0.409 1303 L N 0.487 121.352 121.223 -0.597 0.000 2.093 1303 L HA -0.215 4.380 4.340 0.425 0.000 0.208 1303 L C 2.621 179.339 176.870 -0.253 0.000 1.085 1303 L CA 1.309 55.873 54.840 -0.459 0.000 0.755 1303 L CB -0.575 41.177 42.059 -0.513 0.000 0.904 1303 L HN 0.231 nan 8.230 nan 0.000 0.435 1304 K N 0.319 120.595 120.400 -0.207 0.000 2.026 1304 K HA -0.220 4.355 4.320 0.425 0.000 0.208 1304 K C 1.651 178.198 176.600 -0.088 0.000 1.048 1304 K CA 1.899 58.115 56.287 -0.119 0.000 0.929 1304 K CB 0.006 32.456 32.500 -0.083 0.000 0.713 1304 K HN 0.168 nan 8.250 nan 0.000 0.439 1305 D N 0.655 121.011 120.400 -0.073 0.000 2.144 1305 D HA -0.124 4.771 4.640 0.425 0.000 0.199 1305 D C 1.685 177.946 176.300 -0.066 0.000 0.984 1305 D CA 1.174 55.151 54.000 -0.039 0.000 0.834 1305 D CB 0.054 40.868 40.800 0.023 0.000 0.955 1305 D HN 0.262 nan 8.370 nan 0.000 0.465 1306 K N 0.282 120.621 120.400 -0.101 0.000 2.097 1306 K HA -0.076 4.499 4.320 0.425 0.000 0.206 1306 K C 1.861 178.412 176.600 -0.082 0.000 1.049 1306 K CA 0.734 56.962 56.287 -0.098 0.000 0.933 1306 K CB 0.152 32.576 32.500 -0.127 0.000 0.717 1306 K HN -0.029 nan 8.250 nan 0.000 0.442 1307 K N 0.681 121.030 120.400 -0.085 0.000 2.283 1307 K HA -0.025 4.550 4.320 0.425 0.000 0.202 1307 K C 1.012 177.578 176.600 -0.056 0.000 1.048 1307 K CA 0.811 57.057 56.287 -0.069 0.000 0.948 1307 K CB -0.047 32.411 32.500 -0.070 0.000 0.742 1307 K HN 0.151 nan 8.250 nan 0.000 0.458 1308 N N 1.458 120.124 118.700 -0.056 0.000 2.251 1308 N HA -0.055 4.940 4.740 0.425 0.000 0.217 1308 N C -0.634 174.847 175.510 -0.048 0.000 1.124 1308 N CA 0.094 53.114 53.050 -0.049 0.000 0.843 1308 N CB 0.277 38.736 38.487 -0.047 0.000 1.024 1308 N HN 0.103 nan 8.380 nan 0.000 0.501 1309 D N 0.882 121.252 120.400 -0.050 0.000 2.689 1309 D HA -0.204 4.691 4.640 0.425 0.000 0.237 1309 D C -0.721 175.550 176.300 -0.048 0.000 1.148 1309 D CA 0.600 54.571 54.000 -0.049 0.000 0.656 1309 D CB -1.138 39.636 40.800 -0.043 0.000 1.050 1309 D HN 0.449 nan 8.370 nan 0.000 0.426 1310 I N -0.168 120.373 120.570 -0.049 0.000 2.913 1310 I HA 0.456 4.881 4.170 0.425 0.000 0.302 1310 I C -1.340 174.752 176.117 -0.042 0.000 1.246 1310 I CA -0.869 60.403 61.300 -0.047 0.000 1.010 1310 I CB 1.923 39.896 38.000 -0.046 0.000 1.259 1310 I HN 0.063 nan 8.210 nan 0.000 0.434 1311 E N 5.460 125.631 120.200 -0.049 0.000 2.260 1311 E HA 0.631 5.236 4.350 0.425 0.000 0.266 1311 E C -0.955 175.595 176.600 -0.082 0.000 0.887 1311 E CA -0.775 55.602 56.400 -0.038 0.000 0.777 1311 E CB 1.904 31.579 29.700 -0.042 0.000 1.205 1311 E HN 0.761 nan 8.360 nan 0.000 0.414 1312 A N 3.817 126.597 122.820 -0.066 0.000 2.565 1312 A HA -0.086 4.489 4.320 0.425 0.000 0.237 1312 A C 1.120 178.501 177.584 -0.338 0.000 1.053 1312 A CA 0.517 52.458 52.037 -0.160 0.000 0.755 1312 A CB 0.533 19.421 19.000 -0.186 0.000 0.980 1312 A HN 0.972 nan 8.150 nan 0.000 0.506 1313 Q N 1.390 120.987 119.800 -0.339 0.000 2.112 1313 Q HA -0.196 4.399 4.340 0.425 0.000 0.206 1313 Q C 0.344 175.724 176.000 -1.034 0.000 0.987 1313 Q CA 2.202 57.647 55.803 -0.597 0.000 0.858 1313 Q CB -0.068 28.382 28.738 -0.479 0.000 0.905 1313 Q HN 0.894 nan 8.270 nan 0.000 0.420 1314 W N -0.072 121.034 121.300 -0.323 0.000 3.015 1314 W HA 0.210 5.132 4.660 0.437 0.000 0.429 1314 W C 0.080 176.505 176.519 -0.157 0.000 0.976 1314 W CA -0.176 57.040 57.345 -0.216 0.000 2.086 1314 W CB 0.076 29.570 29.460 0.056 0.000 1.125 1314 W HN 0.376 nan 8.180 nan 0.000 0.721 1315 H N -0.535 118.628 119.070 0.154 0.000 1.452 1315 H HA -0.397 4.413 4.556 0.423 0.000 0.090 1315 H C 1.764 177.245 175.328 0.256 0.000 0.964 1315 H CA 1.883 58.021 56.048 0.150 0.000 1.901 1315 H CB -1.119 28.685 29.762 0.070 0.000 2.257 1315 H HN 0.200 nan 8.280 nan 0.000 0.961 1316 D N 0.539 121.151 120.400 0.352 0.000 2.221 1316 D HA -0.203 4.692 4.640 0.425 0.000 0.204 1316 D C 1.905 178.314 176.300 0.182 0.000 0.982 1316 D CA 1.833 55.971 54.000 0.231 0.000 0.857 1316 D CB -0.529 40.333 40.800 0.103 0.000 0.934 1316 D HN 0.662 nan 8.370 nan 0.000 0.475 1317 Q N 0.561 120.497 119.800 0.226 0.000 2.167 1317 Q HA -0.099 4.496 4.340 0.425 0.000 0.202 1317 Q C 1.969 178.045 176.000 0.127 0.000 0.970 1317 Q CA 1.195 57.099 55.803 0.169 0.000 0.855 1317 Q CB 0.132 29.009 28.738 0.231 0.000 0.911 1317 Q HN 0.144 nan 8.270 nan 0.000 0.438 1318 S N -0.364 115.427 115.700 0.153 0.000 2.371 1318 S HA -0.112 4.613 4.470 0.425 0.000 0.224 1318 S C 1.581 176.132 174.600 -0.081 0.000 1.029 1318 S CA 0.761 58.994 58.200 0.056 0.000 0.978 1318 S CB -0.287 62.901 63.200 -0.020 0.000 0.833 1318 S HN 0.528 nan 8.310 nan 0.000 0.466 1319 H N 0.441 119.520 119.070 0.015 0.000 2.389 1319 H HA 0.036 4.846 4.556 0.423 0.000 0.299 1319 H C 2.195 177.474 175.328 -0.082 0.000 1.081 1319 H CA 1.132 57.158 56.048 -0.036 0.000 1.345 1319 H CB -0.474 29.258 29.762 -0.051 0.000 1.393 1319 H HN 0.224 nan 8.280 nan 0.000 0.520 1320 L N 1.418 122.632 121.223 -0.015 0.000 2.083 1320 L HA -0.123 4.472 4.340 0.425 0.000 0.209 1320 L C 1.876 178.712 176.870 -0.057 0.000 1.083 1320 L CA 1.383 56.103 54.840 -0.199 0.000 0.752 1320 L CB -0.580 41.332 42.059 -0.245 0.000 0.899 1320 L HN 0.128 nan 8.230 nan 0.000 0.433 1321 N N -0.297 118.444 118.700 0.069 0.000 2.188 1321 N HA -0.204 4.791 4.740 0.425 0.000 0.184 1321 N C 1.813 177.355 175.510 0.053 0.000 1.018 1321 N CA 1.089 54.252 53.050 0.189 0.000 0.858 1321 N CB 0.006 38.581 38.487 0.147 0.000 0.989 1321 N HN 0.245 nan 8.380 nan 0.000 0.426 1322 K N 0.897 121.265 120.400 -0.054 0.000 2.057 1322 K HA -0.145 4.430 4.320 0.425 0.000 0.207 1322 K C 1.997 178.561 176.600 -0.060 0.000 1.049 1322 K CA 1.030 57.253 56.287 -0.107 0.000 0.931 1322 K CB -0.794 31.647 32.500 -0.099 0.000 0.714 1322 K HN 0.177 nan 8.250 nan 0.000 0.440 1323 Y N -0.091 120.111 120.300 -0.163 0.000 2.114 1323 Y HA -0.153 4.650 4.550 0.423 0.000 0.284 1323 Y C 1.673 177.472 175.900 -0.168 0.000 1.143 1323 Y CA 2.059 60.022 58.100 -0.229 0.000 1.135 1323 Y CB -0.432 37.782 38.460 -0.410 0.000 0.980 1323 Y HN 0.103 nan 8.280 nan 0.000 0.499 1324 F N -1.095 118.897 119.950 0.070 0.000 2.365 1324 F HA -0.182 4.602 4.527 0.428 0.000 0.300 1324 F C 2.081 177.835 175.800 -0.076 0.000 1.090 1324 F CA 0.301 58.273 58.000 -0.047 0.000 1.408 1324 F CB -0.110 38.778 39.000 -0.187 0.000 1.060 1324 F HN 0.223 nan 8.300 nan 0.000 0.534 1325 L N 0.183 121.475 121.223 0.115 0.000 2.072 1325 L HA -0.120 4.475 4.340 0.425 0.000 0.205 1325 L C 1.852 178.639 176.870 -0.138 0.000 1.079 1325 L CA 1.746 56.587 54.840 0.002 0.000 0.752 1325 L CB -0.592 41.423 42.059 -0.073 0.000 0.906 1325 L HN 0.074 nan 8.230 nan 0.000 0.436 1326 L N -0.543 120.559 121.223 -0.202 0.000 2.131 1326 L HA -0.017 4.578 4.340 0.425 0.000 0.206 1326 L C 0.331 177.013 176.870 -0.313 0.000 1.087 1326 L CA 0.535 55.224 54.840 -0.251 0.000 0.767 1326 L CB -0.330 41.565 42.059 -0.274 0.000 0.917 1326 L HN 0.290 nan 8.230 nan 0.000 0.441 1327 N N 1.230 119.674 118.700 -0.427 0.000 2.800 1327 N HA 0.137 5.132 4.740 0.425 0.000 0.240 1327 N C -0.858 174.537 175.510 -0.192 0.000 1.096 1327 N CA -0.328 52.496 53.050 -0.376 0.000 0.877 1327 N CB 1.050 39.141 38.487 -0.660 0.000 1.138 1327 N HN 0.012 nan 8.380 nan 0.000 0.509 1328 K N 2.066 122.277 120.400 -0.315 0.000 2.511 1328 K HA 0.073 4.648 4.320 0.425 0.000 0.280 1328 K C -2.015 174.488 176.600 -0.162 0.000 1.008 1328 K CA -0.855 55.131 56.287 -0.503 0.000 1.050 1328 K CB 0.123 31.844 32.500 -1.297 0.000 0.889 1328 K HN 0.345 nan 8.250 nan 0.000 0.484 1329 P HA 0.025 nan 4.420 nan 0.000 0.275 1329 P C 0.562 177.982 177.300 0.200 0.000 1.227 1329 P CA -0.149 62.920 63.100 -0.050 0.000 0.781 1329 P CB 0.548 31.918 31.700 -0.552 0.000 0.906 1330 T N -0.786 113.855 114.554 0.146 0.000 3.085 1330 T HA 0.039 4.644 4.350 0.425 0.000 0.263 1330 T C 0.556 175.321 174.700 0.108 0.000 1.127 1330 T CA 0.608 62.815 62.100 0.179 0.000 1.103 1330 T CB 0.007 68.959 68.868 0.139 0.000 0.921 1330 T HN 0.502 nan 8.240 nan 0.000 0.510 1331 K N 0.177 120.599 120.400 0.037 0.000 2.557 1331 K HA 0.527 5.102 4.320 0.425 0.000 0.261 1331 K C -2.077 174.463 176.600 -0.101 0.000 0.932 1331 K CA -0.994 55.268 56.287 -0.041 0.000 0.829 1331 K CB 1.687 34.158 32.500 -0.047 0.000 1.358 1331 K HN -0.029 nan 8.250 nan 0.000 0.430 1332 I N 4.449 124.934 120.570 -0.141 0.000 2.608 1332 I HA 0.401 4.826 4.170 0.425 0.000 0.295 1332 I C -0.400 175.587 176.117 -0.217 0.000 1.049 1332 I CA -0.877 60.322 61.300 -0.167 0.000 1.063 1332 I CB 1.678 39.558 38.000 -0.200 0.000 1.248 1332 I HN 0.609 nan 8.210 nan 0.000 0.424 1333 L N 3.982 125.073 121.223 -0.220 0.000 2.309 1333 L HA 0.416 5.011 4.340 0.425 0.000 0.282 1333 L C 0.841 177.528 176.870 -0.306 0.000 1.036 1333 L CA -0.551 54.078 54.840 -0.351 0.000 0.806 1333 L CB 1.776 43.584 42.059 -0.418 0.000 1.220 1333 L HN 0.740 nan 8.230 nan 0.000 0.429 1334 S N 2.136 117.556 115.700 -0.466 0.000 2.600 1334 S HA 0.228 4.953 4.470 0.425 0.000 0.265 1334 S C -1.921 172.396 174.600 -0.472 0.000 1.325 1334 S CA -0.973 56.685 58.200 -0.904 0.000 1.002 1334 S CB 0.835 62.833 63.200 -2.002 0.000 0.921 1334 S HN 0.438 nan 8.310 nan 0.000 0.554 1335 P HA -0.045 nan 4.420 nan 0.000 0.226 1335 P C 0.757 178.017 177.300 -0.066 0.000 1.146 1335 P CA 1.018 64.034 63.100 -0.141 0.000 0.773 1335 P CB -0.085 31.514 31.700 -0.169 0.000 0.772 1336 E N -1.852 118.164 120.200 -0.306 0.000 2.204 1336 E HA -0.174 4.431 4.350 0.425 0.000 0.194 1336 E C 0.876 177.300 176.600 -0.294 0.000 0.989 1336 E CA 0.898 57.105 56.400 -0.322 0.000 0.824 1336 E CB -0.459 29.020 29.700 -0.369 0.000 0.756 1336 E HN 0.442 nan 8.360 nan 0.000 0.477 1337 Y N -0.453 119.759 120.300 -0.147 0.000 2.529 1337 Y HA 0.053 4.588 4.550 -0.026 0.000 0.290 1337 Y C 0.658 176.626 175.900 0.113 0.000 1.177 1337 Y CA -0.127 57.916 58.100 -0.095 0.000 1.305 1337 Y CB 0.378 38.670 38.460 -0.280 0.000 1.047 1337 Y HN 0.142 nan 8.280 nan 0.000 0.522 1338 C N -2.667 116.793 119.300 0.267 0.000 2.944 1338 C HA 0.163 4.877 4.460 0.425 0.000 0.348 1338 C C -0.690 174.594 174.990 0.490 0.000 0.862 1338 C CA -1.659 57.593 59.018 0.389 0.000 1.131 1338 C CB -1.251 26.746 27.740 0.428 0.000 1.552 1338 C HN 0.479 nan 8.230 nan 0.000 0.630 1339 W N 3.023 124.324 121.300 0.003 0.000 2.438 1339 W HA 0.521 5.391 4.660 0.350 0.000 0.324 1339 W C -0.996 175.150 176.519 -0.623 0.000 1.119 1339 W CA 0.222 57.369 57.345 -0.329 0.000 1.221 1339 W CB 1.420 30.583 29.460 -0.495 0.000 1.253 1339 W HN 0.724 nan 8.180 nan 0.000 0.555 1340 D N 4.240 123.469 120.400 -1.953 0.000 2.412 1340 D HA 0.094 4.989 4.640 0.425 0.000 0.224 1340 D C 0.340 175.787 176.300 -1.422 0.000 1.093 1340 D CA -0.323 52.639 54.000 -1.729 0.000 0.850 1340 D CB 0.322 39.872 40.800 -2.085 0.000 1.046 1340 D HN 0.349 nan 8.370 nan 0.000 0.507 1341 Y N 1.691 121.655 120.300 -0.560 0.000 2.651 1341 Y HA -0.163 4.663 4.550 0.459 0.000 0.296 1341 Y C 1.924 177.718 175.900 -0.176 0.000 1.150 1341 Y CA 0.583 58.560 58.100 -0.204 0.000 1.348 1341 Y CB -0.030 38.443 38.460 0.021 0.000 0.983 1341 Y HN 0.606 nan 8.280 nan 0.000 0.555 1342 H N 0.073 119.028 119.070 -0.191 0.000 2.491 1342 H HA -0.094 4.715 4.556 0.421 0.000 0.290 1342 H C 1.742 176.957 175.328 -0.188 0.000 1.050 1342 H CA 1.378 57.380 56.048 -0.076 0.000 1.309 1342 H CB -0.240 29.558 29.762 0.060 0.000 1.392 1342 H HN 0.354 nan 8.280 nan 0.000 0.554 1343 I N -0.617 119.574 120.570 -0.631 0.000 2.617 1343 I HA 0.070 4.495 4.170 0.425 0.000 0.256 1343 I C 1.539 177.485 176.117 -0.284 0.000 1.167 1343 I CA 0.625 61.453 61.300 -0.787 0.000 1.469 1343 I CB -0.214 37.049 38.000 -1.229 0.000 1.098 1343 I HN 0.550 nan 8.210 nan 0.000 0.436 1344 G N 1.167 109.931 108.800 -0.061 0.000 2.416 1344 G HA2 -0.133 4.082 3.960 0.425 0.000 0.203 1344 G HA3 -0.133 4.082 3.960 0.425 0.000 0.203 1344 G C -1.197 173.923 174.900 0.366 0.000 1.227 1344 G CA -0.526 44.645 45.100 0.117 0.000 1.041 1344 G HN 0.034 nan 8.290 nan 0.000 0.546 1345 L N 2.438 123.800 121.223 0.233 0.000 2.514 1345 L HA 0.598 5.192 4.340 0.425 0.000 0.257 1345 L C -1.638 175.241 176.870 0.016 0.000 1.101 1345 L CA -1.141 53.791 54.840 0.153 0.000 0.911 1345 L CB 1.084 43.236 42.059 0.156 0.000 1.162 1345 L HN 0.743 nan 8.230 nan 0.000 0.477 1346 P HA 0.333 nan 4.420 nan 0.000 0.276 1346 P C 0.599 177.851 177.300 -0.080 0.000 1.261 1346 P CA -0.263 62.820 63.100 -0.028 0.000 0.800 1346 P CB 1.145 32.862 31.700 0.028 0.000 1.066 1347 A N 0.755 123.546 122.820 -0.049 0.000 1.948 1347 A HA -0.205 4.370 4.320 0.425 0.000 0.220 1347 A C 1.708 179.246 177.584 -0.076 0.000 1.177 1347 A CA 1.962 53.964 52.037 -0.059 0.000 0.636 1347 A CB -1.055 17.917 19.000 -0.046 0.000 0.815 1347 A HN 0.571 nan 8.150 nan 0.000 0.449 1348 D N -0.227 120.139 120.400 -0.057 0.000 2.264 1348 D HA -0.036 4.858 4.640 0.425 0.000 0.208 1348 D C 0.379 176.664 176.300 -0.026 0.000 0.966 1348 D CA 0.589 54.561 54.000 -0.046 0.000 0.864 1348 D CB -0.117 40.726 40.800 0.072 0.000 0.933 1348 D HN 0.289 nan 8.370 nan 0.000 0.499 1349 I N 2.306 122.752 120.570 -0.206 0.000 2.241 1349 I HA 0.041 4.466 4.170 0.425 0.000 0.294 1349 I C 1.355 177.324 176.117 -0.246 0.000 1.145 1349 I CA -0.226 60.848 61.300 -0.378 0.000 1.261 1349 I CB 0.722 38.141 38.000 -0.969 0.000 1.475 1349 I HN -0.262 nan 8.210 nan 0.000 0.533 1350 K N 3.506 123.834 120.400 -0.120 0.000 2.062 1350 K HA 0.075 4.650 4.320 0.425 0.000 0.205 1350 K C 0.418 176.965 176.600 -0.089 0.000 1.051 1350 K CA 0.896 57.133 56.287 -0.083 0.000 0.941 1350 K CB 0.240 32.720 32.500 -0.034 0.000 0.719 1350 K HN 0.347 nan 8.250 nan 0.000 0.440 1351 L N 0.664 121.822 121.223 -0.109 0.000 2.541 1351 L HA 0.254 4.849 4.340 0.425 0.000 0.266 1351 L C -1.367 175.402 176.870 -0.169 0.000 0.966 1351 L CA -0.503 54.277 54.840 -0.100 0.000 0.871 1351 L CB 2.013 44.037 42.059 -0.058 0.000 1.232 1351 L HN -0.268 nan 8.230 nan 0.000 0.408 1352 V N 6.021 125.853 119.914 -0.138 0.000 2.470 1352 V HA 0.203 4.578 4.120 0.425 0.000 0.276 1352 V C 0.811 176.830 176.094 -0.125 0.000 1.040 1352 V CA -0.108 62.103 62.300 -0.149 0.000 1.008 1352 V CB 0.961 32.754 31.823 -0.051 0.000 0.990 1352 V HN 0.775 nan 8.190 nan 0.000 0.477 1353 K N 3.537 123.817 120.400 -0.200 0.000 2.334 1353 K HA 0.350 4.924 4.320 0.425 0.000 0.195 1353 K C 0.147 176.786 176.600 0.064 0.000 1.045 1353 K CA 0.401 56.621 56.287 -0.113 0.000 1.004 1353 K CB 0.297 32.617 32.500 -0.300 0.000 0.837 1353 K HN 0.635 nan 8.250 nan 0.000 0.510 1354 M N 0.036 119.663 119.600 0.044 0.000 2.365 1354 M HA 0.303 5.038 4.480 0.425 0.000 0.287 1354 M C -1.769 174.594 176.300 0.106 0.000 1.154 1354 M CA -0.379 54.943 55.300 0.036 0.000 0.941 1354 M CB 2.256 34.842 32.600 -0.023 0.000 1.704 1354 M HN 0.022 nan 8.290 nan 0.000 0.479 1355 S N 2.318 118.100 115.700 0.137 0.000 2.542 1355 S HA 0.801 5.526 4.470 0.425 0.000 0.293 1355 S C -1.497 173.290 174.600 0.311 0.000 1.089 1355 S CA -0.746 57.570 58.200 0.194 0.000 0.961 1355 S CB 0.850 64.195 63.200 0.243 0.000 1.062 1355 S HN 0.689 nan 8.310 nan 0.000 0.483 1356 W N 1.728 123.034 121.300 0.009 0.000 2.170 1356 W HA 0.374 5.249 4.660 0.358 0.000 0.336 1356 W C 0.856 177.391 176.519 0.027 0.000 1.283 1356 W CA -0.726 56.630 57.345 0.018 0.000 1.224 1356 W CB 0.113 29.592 29.460 0.031 0.000 1.132 1356 W HN 0.572 nan 8.180 nan 0.000 0.571 1357 Q N 1.183 121.099 119.800 0.194 0.000 2.259 1357 Q HA 0.224 4.819 4.340 0.425 0.000 0.246 1357 Q C 0.081 176.158 176.000 0.129 0.000 0.920 1357 Q CA -0.221 55.651 55.803 0.116 0.000 0.895 1357 Q CB 1.120 29.819 28.738 -0.065 0.000 1.220 1357 Q HN 0.331 nan 8.270 nan 0.000 0.439 1358 T N 3.091 117.723 114.554 0.130 0.000 2.940 1358 T HA 0.048 4.653 4.350 0.425 0.000 0.309 1358 T C 0.296 175.000 174.700 0.007 0.000 1.056 1358 T CA -0.255 61.889 62.100 0.073 0.000 1.137 1358 T CB 0.351 69.250 68.868 0.053 0.000 0.976 1358 T HN 0.080 nan 8.240 nan 0.000 0.547 1359 K N 3.384 123.718 120.400 -0.111 0.000 2.401 1359 K HA 0.138 4.713 4.320 0.425 0.000 0.278 1359 K C 0.495 176.923 176.600 -0.288 0.000 1.018 1359 K CA 0.165 56.248 56.287 -0.340 0.000 0.981 1359 K CB 0.490 32.571 32.500 -0.697 0.000 0.933 1359 K HN 0.682 nan 8.250 nan 0.000 0.477 1360 E N 2.453 122.517 120.200 -0.226 0.000 3.575 1360 E HA 0.091 4.696 4.350 0.425 0.000 0.201 1360 E C 0.295 176.864 176.600 -0.051 0.000 0.999 1360 E CA -0.093 56.246 56.400 -0.100 0.000 1.315 1360 E CB 0.148 29.850 29.700 0.003 0.000 1.146 1360 E HN 0.524 nan 8.360 nan 0.000 0.453 1361 Y N 0.583 120.822 120.300 -0.101 0.000 2.139 1361 Y HA -0.339 4.464 4.550 0.422 0.000 0.282 1361 Y C 2.470 178.298 175.900 -0.120 0.000 1.179 1361 Y CA 1.063 59.073 58.100 -0.150 0.000 1.161 1361 Y CB -0.159 38.206 38.460 -0.158 0.000 0.970 1361 Y HN 0.291 nan 8.280 nan 0.000 0.511 1362 N N 0.206 118.958 118.700 0.087 0.000 2.272 1362 N HA -0.157 4.838 4.740 0.425 0.000 0.185 1362 N C 1.248 176.765 175.510 0.011 0.000 1.014 1362 N CA 1.441 54.517 53.050 0.043 0.000 0.870 1362 N CB -0.165 38.342 38.487 0.033 0.000 0.975 1362 N HN 0.111 nan 8.380 nan 0.000 0.433 1363 V N -0.798 119.102 119.914 -0.023 0.000 2.788 1363 V HA 0.002 4.377 4.120 0.425 0.000 0.241 1363 V C 2.038 178.043 176.094 -0.148 0.000 1.083 1363 V CA 0.993 63.255 62.300 -0.063 0.000 1.103 1363 V CB 0.210 32.003 31.823 -0.049 0.000 0.800 1363 V HN 0.351 nan 8.190 nan 0.000 0.476 1364 V N -1.379 118.391 119.914 -0.239 0.000 3.129 1364 V HA 0.183 4.558 4.120 0.425 0.000 0.259 1364 V C 1.060 177.160 176.094 0.011 0.000 1.116 1364 V CA 0.570 62.698 62.300 -0.287 0.000 1.127 1364 V CB -0.619 30.818 31.823 -0.644 0.000 0.742 1364 V HN 0.371 nan 8.190 nan 0.000 0.474 1365 R N 0.944 121.447 120.500 0.006 0.000 2.532 1365 R HA 0.414 5.009 4.340 0.425 0.000 0.295 1365 R C 0.369 176.698 176.300 0.050 0.000 0.968 1365 R CA 0.024 56.133 56.100 0.015 0.000 0.916 1365 R CB 1.101 31.235 30.300 -0.277 0.000 1.124 1365 R HN 0.261 nan 8.270 nan 0.000 0.463 1366 N N 1.068 119.837 118.700 0.114 0.000 2.325 1366 N HA -0.043 4.952 4.740 0.425 0.000 0.182 1366 N C -0.696 174.889 175.510 0.125 0.000 1.088 1366 N CA 0.151 53.263 53.050 0.103 0.000 0.879 1366 N CB 0.436 38.979 38.487 0.095 0.000 0.983 1366 N HN 0.616 nan 8.380 nan 0.000 0.471 1367 N N -1.106 117.722 118.700 0.213 0.000 2.571 1367 N HA 0.219 5.214 4.740 0.425 0.000 0.273 1367 N C -0.732 174.962 175.510 0.307 0.000 1.340 1367 N CA -0.626 52.548 53.050 0.207 0.000 0.789 1367 N CB 1.466 40.043 38.487 0.150 0.000 1.514 1367 N HN -0.279 nan 8.380 nan 0.000 0.499 1368 V N 0.000 120.043 119.914 0.215 0.000 2.409 1368 V HA 0.000 4.375 4.120 0.425 0.000 0.244 1368 V CA 0.000 62.444 62.300 0.241 0.000 1.235 1368 V CB 0.000 31.897 31.823 0.123 0.000 1.184 1368 V HN 0.000 nan 8.190 nan 0.000 0.556